Eleventh International Conference on Atomic and Molecular ... · Eleventh International Conference on Atomic and Molecular Data and Their Applications (ICAMDATA 2018) DAY 1, Sunday,

Eleventh International Conference on Atomic and Molecular Data andTheir Applications (ICAMDATA 2018)

DAY 1, Sunday, November 11

Welcome Reception, Phillips Auditorium, Harvard-Smithsonian Center for As-trophysics, 60 Garden St., 5:00-7:00 PM

DAY 2, Monday, November 12

Recent Activities in Atomic and Molecular Data at the IAEA: Coordination,Evaluation and CrowdsourcingC. Hill, K. Heinola . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 10

Recent Database Activities of CRAAMDYong Wu . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 23

Efficient Water-window Soft X-ray UTA Sources for in vivo Bio-imagingTakeshi Higashiguchi . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9

A+M Data Center Activities for Plasma Technology in the National FusionResearch InstituteMi-Young Song . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19

Theoretical Investigations on the Energy Level, Transition Rate and the Spec-trum of Highly Charged Tungsten IonsXiaobin Ding . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6

Atomic Data of Sn8-14+ Ions for Laser-produced Tin Plasmas for Nanolithog-raphyOscar O. Versolato . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 22

Line Lists for Astronomical SpectraCharlie Conroy . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4

The Role of Atomic Data in Dark Matter SearchesEsra Bulbul . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3

DAY 3, Tuesday, November 13

Electron-Impact Excitation and Fragmentation of Molecular Cations Relevantfor the Edge Plasmas and AstrochemistryI. F. Schneider . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16

i

Spectroscopic Modeling for EUV Spectra of Highly Charged Tungsten IonsIncluding Recombination ProcessesI. Murakami . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 14

Electron-impact Excitation of Molecular Hydrogen: Dissociation and Vibra-tionally Resolved Cross SectionsDmitry Fursa . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 8

Cowan Code: 50 Years of Growing Impact on Atomic PhysicsA. Kramida . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11

Accurate Atomic Polarizabilities from Relativistic Coupled-Cluster TheoryPeter Schwerdtfeger, Jeff Nagel . . . . . . . . . . . . . . . . . . . . . . . . . . 17

Molecular Spectroscopic Parameters Retrieved with Cavity Ring-down Spec-troscopyAn-Wen Liu . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 12

DAY 4, Wednesday, November 14

XUV Spectra from Laser-produced Plasmas and Potential Industrial Applica-tionsEmma Sokell . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 18

Uncertainty Integration within R-matrix Calculations Supporting DiagnosticCapabilities within Astrophysical and Magnetically-confined PlasmasC. P. Ballance, S. D. Loch . . . . . . . . . . . . . . . . . . . . . . . . . . . . 2

Molecular Simulations for the Spectroscopic Detection of Biosignature Gasesand Other VolatilesC. Sousa-Silva, J. J. Petkowski, S. Seager . . . . . . . . . . . . . . . . . . . . . 20

Still Not Enough Ultraviolet Opacity in Models of Cool Star AtmospheresJeff Valenti . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 21

The Chemical Compositions of Stars: Accurate Abundance Determinations inStellar Atmospheres using Non-Local Thermodynamic Equilibrium (Non-LTE) ModelsRana Ezzeddine . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7

DAY 5, Thursday, November 15

Data Needs for Modeling Low-Temperature PlasmasL. C. Pitchford . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15

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Database Demonstrations 40

NIST Atomic Spectra DatabasesKaren Olsen . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 46

VAMDC and Data Citation : The Query StoreM. L. Dubernet . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 42

HITRAN2016: Spectroscopy Meets Data ScienceI. E. Gordon . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 44

Quantemol DB - Trusted Chemistries for Plasma ResearchB. Cooper . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 41

Phys4EntryDB: A Database of State-Resolved Cross Sections and Rate Co-efficients for Plasma ModelingA. Laricchiuta . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45

AtomDB and PyAtomDB: Spectral Modeling for X-ray AstronomyA. R. Foster . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43

Posters 47

Radiative Atom-Atom and Atom-Ion Collisional ProcessesJ. F. Babb . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48

Transverse Free-Electron Target for the Heavy-Ion Storage Ring CRYRING@ESRC. Brandau, A. Borovik Jr., et al. . . . . . . . . . . . . . . . . . . . . . . . . . 49

Laboratory Astrophysics with Multicharged Ions at the CU-EBIT User FacilityS. J. Bromley . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50

Extreme Ultraviolet Emission Spectra of Laser-produced Antimony PlasmasS. Q. Cao, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . 51

Improvement of NIFS Atom and Molecular DatabaseM. Emoto . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 52

Model Charge Exchange With AtomDB: Converting Fundamental Atomic Datato Spectral ModelsA. R. Foster . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 53

X-ray Measurements of Highly Charged Ar Produced in an Electron Beam IonTrapA. C. Gall . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54

HITEMP: Extensive Linelists of Molecular Spectroscopic Parameters for High-Temperature ApplicationsR. J. Hargreaves . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 55

Measurement and Analysis of EUV Emission Spectrum from Laser ProducedZn PlasmaS. Q. He, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 56

iii

Collision-Induced Absorption By Oxygen And Nitrogen MoleculesT. Karman . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 57

Update of the HITRAN Collision-Induced Absorption SectionT. Karman . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 58

Detection of Non-thermal Electrons in LHD plasmas via Fe-line SpectroscopyT. Kawate . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 59

High-lying 5 1Sigma+, 3 1Pi, 5 3Sigma+, and 4 3Pi Electronic States of theKRb Diatomic MoleculeJ. T. Kim . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60

Absorption Cross-sections in HITRAN2016 and Beyond: Extensive Update inthe IR RegionR. V. Kochanov, I. E. Gordon, L. S. Rothman, et al. . . . . . . . . . . . . . . . . 61

Electron-CO Excitation and Ionization Cross Sections for Plasma ModellingA. Laricchiuta . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 62

Theoretical Study of KLL Dielectronic and Higher-Order Recombination Processesof B-Like IonsS. M. Lu, L. Y. Xie, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79

Laboratory VUV Spectra of Heavy Element Ions: ExamplesA. Meftah . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 65

Investigation of the Expansion Dynamics of Silicon Plasmas Generated byDouble Nanosecond Laser PulsesQ. Min, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67

Direct Two-Electron Ejection from F− by a Single PhotonA. Muller, A. Borovik Jr., et al. . . . . . . . . . . . . . . . . . . . . . . . . . . 69

Recent Updates and Enhancements of NIST Numerical Databases for Atomicand Plasma PhysicsK. Olsen . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70

Resonance Contribution to Electron-Impact Excitation Rate Coefficients ofS14+ IonsC. Ren, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72

Fine-Structure Excitation of Ne+ in Collision with Atomic HydrogenYier Wan . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73

Energy Levels and Static Polarizabilities of He and Be AtomsX. Wang, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . . 74

Precise Line-Shape Study of Oxygen B-band TransitionsS. Wojtewicz . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 75

Investigation of EUV Spectra of Laser-Produced Cr PlasmasL. Wu, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76

iv

Effect of Breit Interaction on Linear Polarization of Radiation Lines followingElectron-Impact Excitation of Boron Isoelectronic SequenceZ. W. Wu, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . . 77

Theoretical Investigation of Electron-Ion Recombination Processes of Li-likeTungsten IonsL. Y. Xie . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 79

Long-Range Dispersion Interactions Between Alkali-Metal And Rare-Gas AtomsD. H. Zhang, C. Z. Dong, et al. . . . . . . . . . . . . . . . . . . . . . . . . . . 80

Author Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 81

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Invited Talks

1

Invited Talks 2

Uncertainty Integration within R-matrix

Calculations Supporting Diagnostic Capabilities

within Astrophysical and Magnetically-confined

Plasmas

C. P. Ballancea and S. D. Lochb

aCTAMOP, School of Maths and Physics, Queens University, Belfast, BT7 1NN, UK

bDepartment of Physics, Auburn University, Auburn, Alabama 36849, USA

Our team has focused on developing general-purpose electron-impact excitation, ioniza-tion and recombination capabilities under an R-matrix formalism to address the mod-elling needs of both magnetically-confined fusion and astrophysical plasmas. It is wellaccepted within experimental groups measuring these quantities that there is an inherentassociated uncertainty with each measurement. However, only in recent times1 haveatomic and molecular theorists begun systematically to address these issues within theirfundamental calculations and plasma simulations, even though it is often a stipulatedrequirement of peer-reviewed journals. As theorists we are able to provide an uncertain-ty on fundamental atomic structure, pertinent collisional processes such electron-impactexcitation, ionization and recombination with the prospect of a correlated uncertaintyon a particular line ratio or PEC (photon emissivity coefficient).

We realize that for complex atomic or molecular targets, where a single calculation isa computational tour-de-force this may not be possible, but for simple, highly-chargedsystems involved in X-ray modelling this is already underway.

In my talk, I will present a statistical argument based upon many calculations whichdrives significant scripting and refactoring of the underlying codebase. Our goal atAuburn University and Queens University is not only to produce an error file for eachprocess, but also a correlated error file which is an ensemble of these individual ones.

1C. P. Ballance, S. D. Loch, A. R. Foster, R. K. Smith, M. C. Witthoeft, & T. R. Kallman 2013,Fusion Science and Technology, 63, 358

Invited Talks 3

The Role of Atomic Data in Dark Matter Searches

E. Bulbul

Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA

The unknown nature of dark matter has been one of the prime problems of modernphysics. A range of exotic particles, which could constitute the dark matter contentof the Universe, have been widely investigated by ground- and space-based direct andindirect searches. Observations of dark matter dominated objects with space telescopesprovide an avenue for indirect detection of secondary emission from dark matter inter-actions. However, uncertainties in atomic models make it difficult to distinguish a weakdark matter signal from those related to other dominant astrophysical processes. I willhighlight the importance of lab measurements of astrophysical plasmas to reduce thesystematics related to atomic data in searches for dark matter in space.

Invited Talks 4

Line Lists for Astronomical Spectra

Charlie Conroy

Harvard University, Dept. of Astronomy, 60 Garden St., Cambridge, MA

Atomic and molecular line lists form the backbone of our understanding of mostastronomical objects, from planets to stars to galaxies. I will provide a brief overviewof the importance of line lists for astronomical results, followed by an overview of ourprogram to empirically determine atomic and molecular parameters for ∼ 105 linesrelevant for modeling cool stars over a wide and continuous wavelength range.

Invited Talks 5

Theoretical Investigations on the Energy Level,

Transition Rate and the Spectrum of Highly

Charged Tungsten Ions

Xiaobin Ding,a Fengling Zhang,a Rui Sun,a,b Jiaoxia Yang,a,

Fumihiro Koike,c Izumi Murakami,d Daiji Kato,d Hiroyuki A. Sakaue,d

Nobuyuki Nakamura,e and Chenzhong Donga

aKey Laboratory of Atomic and Molecular Physics and Functional Materials of GansuProvince, College of Physics and Electronic Engineering, Northwest Normal

University, Lanzhou 730070, China

bKey Laboratory for Laser Plasma (Ministry of Education) and Department of Physicsand Astronomy, Shanghai Jiao Tong University, Shanghai 200240, China

cDepartment of Physics, Sophia University, Tokyo 102-8554, Japan

dNational Institute for Fusion Science, National Institutes of Natural Sciences, Toki,Gifu, 509-5292, Japan

eInstitute for Laser Science, The University of Electro-Communications, Chofu, Tokyo182-8585, Japan

The knowledge of the atomic properties of various Tungsten (W) ions is required forthe development of magnetic confinement fusion (MCF) because W was chosen as thecover material of the ITER divertor due to its favourable physical, chemical, thermal andmechanical properties. Therefore, W ions will inevitably be introduced into the plasmaas an intrinsic impurity. Although the heavy highly charged impurity ions may causeserious radiation power loss, their emission lines may still be helpful as diagnostics of thecore and edge plasma of MCF. Accurate atomic data of the line emission is indispensablefor the diagnosis of the plasma parameters.

The relativistic, electron correlation and quantum electro-dynamics (QED) effectsplay important roles on the energy level and transition properties of the heavy high-ly charged W ions. Multi-configuration Dirac-Fock method with implementation ofGRASP2K1 is a widely used ab-initio method to investigate the complex ions whichcould take these important effects into account. The energy levels and E1, M1, E2, M2transition rates were calculated for the W26+, W27+and W54+ ions.2,3, 4 The electroncorrelation contribution to the transition wavelength and rate from the same shell areemphasized to be essential.

1P. Jonsson et al. 2013, Comp. Phys. Comm., 184, 21972X. B. Ding et al. 2011, J. Phys. B:At. Mol. Opt. Phys., 44, 1450043X. B. Ding et al. 2012, J. Phys. B:At. Mol. Opt. Phys., 45, 0350034X. B. Ding et. al. 2017, J. Phys. B:At. Mol. Opt. Phys., 50, 045004

Invited Talks 6

In order to analyze the spectrum observed from an electron beam ion trap (EBIT),a collisional-radiative model was constructed with atomic data calculated by relativisticconfiguration interaction method with implementation of the FAC code.5 The calculatedenergy levels, transition energies and rates agree well with those calculated by MCDFmethods and with experiments. The present model can be used to interpret the observedspectrum.6

This work was supported by National Key Research and Development Program of China, Grant

No. 2017 YFA0402300, National Natural Science Foundation of China, Grant No. U1832126, 11874051,

11264035.

5M. F. Gu 2008, Can. J. Phys., 730, 1276X. B. Ding et al. 2016, Phys. Lett. A, 380, 874; X. B. Ding et. al. 2018, JQSRT, 204, 7

Invited Talks 7

The Chemical Compositions of Stars:

Accurate Abundance Determinations in Stellar

Atmospheres using Non-Local Thermodynamic

Equilibrium (Non-LTE) Models

Rana Ezzeddine

MIT Kavli Institute for Astrophysics and Space Research, Massachusetts Institute forTechnology, Cambridge, MA, USA

Determination of high precision abundances has and will always be an important goalof all spectroscopic studies, especially in the era of large-scale surveys such as Gaia,APOGEE and others. Chemical abundances are, however, non-measurable quantitiesand are highly dependent on the radiative transfer models and atomic data used in theirdeterminations. They can be prone to large inaccuracies, especially when assuming LocalThermodynamic Equilibrium (LTE). In this talk, I will briefly describe using Non-LTEradiative transfer methods in abundance analyses. I will also discuss the effects ofignoring such accurate modeling methods of stellar atmospheres on their fundamentalatmospheric parameters and abundance determinations. I will reflect upon the effectsthat these differences can have on stellar population and chemical evolution studies.

Invited Talks 8

Electron-impact Excitation of Molecular Hydrogen:

Dissociation and Vibrationally Resolved Cross

Sections

D. V. Fursa,a L. H. Scarlett,a J. K. Tapley,a J. S. Savage,a

I. Bray,a and M. C. Zammitb

aDepartment of Physics and Astronomy, Curtin University, Perth, Western Australia6102, Australia

bTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, USA

Molecular hydrogen and its isotopologues are present in a range of vibrationally ex-cited states in fusion, atmospheric, and interstellar plasmas. Electron-impact excitationcross sections resolved in both final and initial vibrational levels of the target are re-quired for modeling the properties and dynamics, and controlling the conditions of manylow-temperature plasmas. Recently, the convergent close-coupling (CCC) method1 hasbeen utilized to provide a comprehensive set of accurate excitation, ionization, stop-ping power, and grand total cross sections for electrons scattering on H2 in the ground(electronic and vibrational) state,2,3,4 and calculations are being conducted to extendthis data set to include cross sections resolved in all initial and final vibrational levels.5

In this talk we will review the available e-H2 collision data, discuss the resolution of asignificant discrepancy between theory and experiment for excitation of the b 3Σ+

u state,5

and present estimates for dissociation of H2.6

1M. C. Zammit et al. 2017, J. Phys. B: At. Mol. Opt. Phys., 50 1230012M. C. Zammit et al. 2017, Phys. Rev. A, 95, 0227083M. C. Zammit et al. 2016, Phys. Rev. Lett., 116, 2332014D. V. Fursa et al. 2017, Phys. Rev. A, 96, 0227095M. Zawadzki et al. 2018, Phys. Rev. A, 97, 050702(R)6L. H. Scarlett et al., 2018, Eur. Phys. J. D, 72, 34

Invited Talks 9

Efficient Water-window Soft X-ray UTA Sources for

in vivo Bio-imaging

Takeshi Higashiguchi

Department of Electrical and Electronic Engineering, Faculty of Engineering,Utsunomiya University, Yoto 7-1-2, Utsunomiya, Tochigi 321-8585, Japan

We demonstrated the efficient water-window soft x-ray UTA (unresolved transition ar-ray) sources for in vivo bio-imaging. Resonance emission from multiply charged ionsmerges to produce intense unresolved transition arrays (UTAs) in the 2-4 nm region,extending below the carbon K-edge (4.37 nm). Our calculations show that a bismuth(Bi) plasma at an electron temperature in the range 570-600 eV radiates strongly near3.9 nm.

We observed intense emission in the water-window soft x-ray spectral region bycontrolling the spectral behavior through changing the balance between emissivity andself-absorption in an expanding plasma. The number of photons obtained from a duallaser irradiated target with a 150-ps pre-pulse was maximized at 3.8× 1014 photons/srin λ = 2.34-4.38 nm at a pulse separation time of 7-10 ns. Enhancement of the numberof photons is attributed to efficient coupling with the main laser pulse while maintaininga tiny source size.1

The effect of optical thickness in a bismuth water-window soft x-ray source wasconsidered by comparing the emission from laser-produced plasmas of a 7.5% atomicdensity foam target and a solid-density target. The number of photons recorded in the4 nm region was comparable for both targets at a plasma-initiating laser pulse durationof 6 ns. From experiments at different pulse durations of 150 ps and 6 ns, self-absorption(opacity) effects were found to be relatively small for bismuth plasmas as compared tothose of tin, based on the same emission mechanism and which are used in 13.5 nmsources for extreme ultraviolet lithography.2

1T. Higashiguchi et al. 2012, Appl. Phys. Lett. 100, 014103; G. Arai et al. 2018, Opt. Express 26,27748.

2H. Hara et al. 2018, Opt. Lett. 43, 3750.

Invited Talks 10

Recent Activities in Atomic and Molecular Data at

the IAEA: Coordination, Evaluation and

Crowdsourcing

C. Hill and K. Heinola

Nuclear Data Section, NAPC Division, International Atomic Energy Agency, PO Box100, Vienna International Centre, A-1400 Vienna, Austria

The Atomic and Molecular Data Unit, in the Nuclear Data Section of the IAEA,is dedicated to the provision of databases for atomic, molecular and plasma-materialinteraction data that are relevant for nuclear fusion research. The principal mechanismto facilitate collaborative research towards the production and evaluation of such datais the Coordinated Research Project (CRP). These projects typically run for four yearsand involve 10 – 15 research groups that are carrying out research towards a sharedgoal. Participants meet three times over the course of a CRP for Research CoordinationMeetings (RCMs) to report on their progress and to plan future activities. CRPs mayalso involve additional workshops on code comparison, benchmarking, or experimentalvalidation.

The following ongoing and planned CRPs will be discussed:

• Plasma-wall Interaction with Irradiated Tungsten and Tungsten Alloys in FusionDevices

• Plasma-wall Interaction with Reduced-activation Steel Surfaces in Fusion Devices

• Data for Atomic Processes of Neutral Beams in Fusion Plasma

• Atomic Data for Vapour Shielding in Fusion Devices

The Unit has recently concluded a Crowdsourced “Challenge” activity, inviting non-specialists to analyse molecular dynamics simulations of radiation damage in fusion-relevant materials. The winner was announced in September 2018 and used machinelearning techniques to robustly identify and classify previously-unknown defect struc-tures in virtual crystals of iron and tungsten.

Invited Talks 11

Cowan Code: 50 Years of Growing Impact on

Atomic Physics

A. Kramida

National Institute of Standards and Technology, Gaithersburg, MD 20899

The famous Cowan’s book “The Theory of Atomic Structure and Spectra” publishedin 1981 and his suite of computer codes based on it continue to be highly influential inatomic physics and many other research areas. As of September 2018, there are morethan 5000 citations to Cowan’s book and codes, and each year adds about 150 citationsto this list. I will briefly describe what these codes do and why they are responsiblefor most of the current progress in analyses of atomic spectra. Various modifications ofthese codes, including my own, will also be described.

Invited Talks 12

Molecular Spectroscopic Parameters Retrieved with

Cavity Ring-down Spectroscopy

An-Wen Liu

Hefei National Laboratory for Physical Science at Microscale, CAS Center forExcellence in Quantum Information and Quantum Physics, University of Science and

Technology of China, Hefei 230026, China

Cavity ring-down (CRD) spectroscopy is a direct absorption technique, which hasthe advantages over normal absorption spectroscopy of the intrinsic insensitivity to lightsource intensity fluctuation and the extremely long effective path lengths. In the lastdecade, the CRD technique demonstrates the detective capability for measurements ofabsorptions with 3-6 order dynamic range in gas-phase spectroscopy. In this talk, we willoverview the experimental schemes of CRD spectroscopy with high sensitivity and highprecision, and we will show how CRD technique can be used to obtain the spectroscopicparameters1,2,3,4 for molecules of atmospheric and astrophysics interest, even to servefor the determination of fundamental constants.5

1S.-M. Hu et al. 2012, Ap. J., 749 (1), 762Y. Lu et al. 2013, Ap. J., 775 (1), 713Y. Tan et al. 2017, JQSRT, 187, 2744P. Kang et al. 2018, JQSRT, 207, 15L.-G. Tao, et al. 2018, Phys. Rev. Lett., 120: 153001

Invited Talks 13

Spectroscopic Modeling for EUV Spectra of Highly

Charged Tungsten Ions Including Recombination

Processes

I. Murakami,a,b A. Sasaki,c and D. Katoa,d

aNational Institute for Fusion Science, Toki, Gifu 509-5292, Japan

bDepartment of Fusion Science, SOKENDAI, Toki, Gifu 509-5292, Japan

cKansai Photon Science Institute, National Institutes of Quantum and RadiologicalScience and Technology, Kizugawa, Kyoto 619-0215, Japan

dDepartment of Advanced Energy Engineering Science, Kyushu University, Fukuoka816-8580, Japan

Tungsten is one of the plasma-facing materials used in fusion devices; however, onceit is released into the plasma due to sputtering by plasma particles, it reduces the plasmatemperature with its high radiation power and affects fusion performance. Spectroscopicmeasurements are important to study impurity transfer of tungsten in the plasma anda good spectroscopic model is necessary to analyze tungsten spectra.

Tungsten spectra measured for plasma with ∼ 1 keV electron temperature havea characteristic structure, so-called Unresolved Transition Array (UTA), at 4 - 7 nmwavelength region.1 This is produced with numerous indistinguishable spectral lines ofn = 4− 4 transitions of W25+ - W35+ ions.2 Several theoretical works tried to reproducethe measured two-peak UTA feature but models have not reproduced it well so far.3

P”utterich et al. suggested that the dielectronic recombination process might contributethe second peak of the UTA feature at 5.5 - 7 nm. No models included the dielectronicrecombination process.

Therefore we constructed a collisional-radiative model (CR model) including recom-bination processes for W27+ ion.4 We considered 226 electron configurations and 25,632J-resolved fine structure levels. The dielectronic recombination process was treated asa two-step process in the model, i.e. dielectronic capture to an autoionizing level, fol-lowed by radiation decay to a bound level. The calculated spectrum of W27+ ion forrecombining plasma at 5.5 - 7nm did not show strong spectral feature to contribute tothe UTA.

As a next step, we have developed a new CR model with J-resolved fine structure lev-els for lower energy states and relativistc configuration-averaged levels for higher energy

1K. Asmussen et al. 1998, Nucl. Fusion, 38, 9672I. Murakami et al. 2015, Nucl. Fusion, 55, 0930163T. P”utterich et al. 2013, AIP Conf. Proc., 1545, 1324I. Murakami et al. 2017, Eur. Phys. J. D., 71, 246

Invited Talks 14

states. We can include many autoionizing states to treat the dielectronic recombinationprocess. In this new model we similarly treat a two-step process for the dielectronicrecombination process. All atomic data necessary for the CR model are calculated withHullac atomic code.5 We will present calculated EUV spectra with this new model.

AcknowledgementThis work was supported partly by KAKENHI (JSPS grant-in-aid for scientific research) (B) 16H04623.

5A. Bar-Sharom et al. 2001, JQSRT, 71, 169

Invited Talks 15

Data Needs for Modeling Low-Temperature Plasmas

L. C. Pitchford

LAPLACE, University of Toulouse III and CNRS, Toulouse, France

Technologies based on low-temperature plasmas (LTPs) are ubiquitous in today’s society, and mod-eling has played an essential role in their development and optimization. LTPs are generated mostsimply by applying a voltage (DC, rf, microwave) across two electrodes separated by a gas gap. Thistalk will focus on data needs for modeling non-equilibrium LTPs in conditions where charged parti-cle/neutral collisions are dominant. Because of their relatively light mass, electrons are acceleratedmore efficiently than the ions, and, thus, the electron “effective temperature” is much higher than thatof the ions or the neutrals. Moreover, the electron energy distribution function (eedf) is usually non-Maxwellian except where the degree of ionization is high. Fluid models of LTPs are often formulatedin terms of continuity and momentum equations for the ions and continuity, momentum and energyequations for the electrons. These are coupled to Maxwell’s equations to determine self-consistently thespace and time dependence of the electric fields. Data needed for fluid models include electron and iontransport and rate coefficients. These data can be measured or can be calculated by solving the Boltz-mann equation for energy distribution functions (edf) using a complete set of electron (ion) scatteringcross sections as input, the availability and quality of which are factors determining the accuracy of thesolution. The transport and rate coefficients are various energy-weighted moments of the edfs. PIC-MC(Particle-in-cell, Monte Carlo) models are another modeling approach and these require as input theelectron- and ion-neutral scattering cross sections. Various hybrid models have also been developedwhich incorporate aspects of both fluid and PIC-MC models. This talk will describe the data needs formodeling LTPs and discuss the general availability of such data. The LXCat project (www.lxcat.net,to be presented elsewhere in this conference) is a repository for data needed for modeling LTPs.

Invited Talks 16

Electron-Impact Excitation and Fragmentation of

Molecular Cations Relevant for the Edge Plasmas

and Astrochemistry

I. F. Schneider,a,b C. Argentin,a E. Djuissi,a A. Abdoulanziz,a Y. Moulane,c

M. D. Epee Epeed, F. Iacob,e N. Pop,f S. Niyonzima,g K. Chakrabarti,h O. Motapon,d

V. Laporta,a J. Zs Mezei,a,i and J. Tennysonj

aLOMC UMR6294, Univ. du Havre, France

bLAC UMR9188, Univ. Paris-Sud/ENS Cachan, Orsay, France

cOukaimeden Observatory, Cadi Ayyad Univ., Marrakech, Morocco

dFaculty of Sciences, Univ. of Douala, Cameroon

ePhysics Department, West Univ. of Timisoara, Romania

fFundamental of Physics for Engineers Department, Politehnica Univ. of Timisoara, Romania

gFaculte des Sciences, Univ. du Burundi, Bujumbura, Burundi

hDepartment of Mathematics, Scottish Church College, Univ. of Calcutta, India

iInst. for Nuclear Research, Hungarian Academy of Sciences, Debrecen, Hungary

jDepartment of Physics and Astronomy, University College London, UK

Dissociative recombination, ro-vibrational excitation and dissociative excitation of molecular cationsby electron impact1 have been studied using methods based on the Multichannel Quantum DefectTheory (MQDT),2 which treats on the same footing the electronic and nuclear degrees of freedom,and handles in a very effective manner the relevant series of Rydberg states, bound and dissociative.Using this method and relying on molecular structure data computed with the R-matrix method,3 weproduced4,5,6,7,8,9 cross sections and rate coefficients for these reactive processes involving H+

2 , HD+,CH+, ArH+, BeH+ and BeD+.

1I. F. Schneider et al. (editors) 2015, EPJ /Web of Conferences, 842Ch. Jungen 2011, in Handbook of High-resolution Spectroscopy, edited by M. Quack and F. Merkt

(Wiley & Sons, New York), 4713J. Tennyson 2010, Phys. Rep., 491, 294M. D. Epee Epee et al. 2016, MNRAS 455, 2765Chakrabarti et al. 2013, Phys. Rev. A, 87, 0227026Motapon et al. 2014, Phys. Rev. A, 90, 0127067Chakrabarti et al. 2018, J. Phys. B: At. Mol. Opt. Phys., 51, 1040028Laporta et al. 2017, Plasma Phys. Control. Fusion, 59, 0450089Niyonzima et al. 2018, Plasma Sources Sci. Technol., 27, 025015

Invited Talks 17

Accurate Atomic Polarizabilities from Relativistic

Coupled-Cluster Theory

Peter Schwerdtfeger,a and Jeff Nagleb

aCentre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study,Massey University Albany, Auckland (New Zealand)

bDepartment of Chemistry, Bowdoin College, 6600 College Station Brunswick, Maine 04011 (USA)

The accurate determination of atomic and molecular response properties to external electric or magneticfields is currently a very active and also challenging field in theoretical chemistry and physics. In anatom, the lowest order response of an electron cloud to an external electric field (quadratic Stark effect)is described by its polarizability. The static dipole polarizability α, is very sensitive to the appliedbasis set, electron correlation and relativistic effects, and to the vibrational structure in the case of amolecule. In this talk a review over the latest calculated and experimental static dipole polarizabilities ofthe neutral atoms is given. The problem of accurate polarizabilities for open-shell systems is discussed.Periodic trends are analyzed and discussed. It is concluded that there is much room for improvementon the current available polarizability data, especially for open-shell systems and the heavier elements.Polarizability measurements for clusters in the gas phase are also mentioned, which require the supportfrom theory for proper interpretation.

Invited Talks 18

XUV Spectra from Laser-produced Plasmas and

Potential Industrial Applications

E. Sokell, O. Maguire, D. Kos, and G. O’Sullivan

School of Physics, University College Dublin, Ireland

Accurate atomic data is necessary for many technological developments including confinement for fu-sion,1 water window2 and EUVL light sources3. Here the Cowan suite of atomic codes4 has been usedto identify previously unidentified lines in Ge VI-XI. These lines were observed in emission spectraobtained from optically-thin plasmas. The spectra were recorded in the 9-18 nm range. The high tem-perature plasmas were formed using a high-powered TEA CO2 laser which delivered 50 mJ in 50 ns.The pulse was shortened in time using a plasma shutter.5 The laser was focussed to a variety of powerdensities up to a maximum of 7 x 108 W/cm2. The spectra were recorded at 45o to the target normal,incident laser direction, on an absolutely calibrated EUV Jenoptik 1/4 m flat-field, grazing incidencespectrometer with a resolving power λ/∆λ ∼ 1700. The uncertainty on the wavelength calibration was0.005 nm.

The vast majority of the 63 newly identified, experimental lines in Ge VI-XI were assigned totransitions of the type 3p63dn − 3p63dn−14p and 3p63dn − 3p63dn−14f . These arrays were observedto move towards shorter wavelengths as the charge state increased. This behaviour for similar ∆n=1transitions is well known.6 A feature associated with 3p63dn - 3p53dn+1 transitions in GeX was observedin the spectrum recorded at the highest power density. Such ∆n=0 transitions have wavelengths that areessentially independent of charge state. The absence of similar features at lower plasma temperaturesfor lower charge states may be explained using the concept of line strength.4

The work on germanium formed part of a comprehensive study of laser produced plasmas from otherelements in the same group of the periodic table. These plasmas, including geometries in which twoplasmas were collided, have been studied using EUV, optical and ion spectroscopies. Some time-resolvedmeasurements have been taken. A selection of these results will be presented.

1J. Clementson et al. 2011, Can. J. Phys., 89, 5712P. Wachulak et al. 2013, Appl. Phys., 111, 2393C. Wagner & N. Harned 2010, Nature Photonics, 4, 244R. D. Cowan 1968, J. Opt. Soc. Am., 6, 8085N. Hurst & S. S. Harilal 2009, Rev. Sci. Instrum., 80, 0351016H. Ohashi et al. 2014, Appl. Phys. Lett., 104, 234107

Invited Talks 19

A+M Data Center Activities for Plasma Technology

in the National Fusion Research Institute

Mi-Young Song,a Hee-Chol Choi,a Won-Seok Chang,a Young Rock Kim,a

Dhanoj Gupta,a Young-Woo Kim,a Dae-Chul Kim,a Yonghyun Kim,a Haeuk Pyuna,a

Jung-Sik Yoon,a H. Cho,a,b J. P. Sullivan,c S. J. Buckman,c Grzegorz P. Karwasz,d

Viatcheslav Kokoouline,e Yoshiharu Nakamura,f and Jonathan Tennysong

aPlasma Fundamental Technology Research team, Core Technology Research Division, PlasmaTechnology Research Center, National Fusion Research Institute, 37 Dongjangsan-ro, Gunsan,

Jeollabuk-do, 54004, Republic of Korea

bDepartment of Physics, Chungnam National University, Daejeon 305-764, South Korea

cRSPE, Australian National University, Canberra, ACT 0200, Australia

dFaculty of Physics, Astronomy and Applied Informatics, University Nicolaus Copernicus,Grudziadzka 5, 87-100, Torun, Poland

eDepartment of Physics, University of Central Florida, Orlando, FL 32816, USA

f6-1-5-201 Miyazaki, Miyamae, Kawasaki, 216-0033, Japan

gDepartment of Physics and Astronomy, University College London, Gower Street, LondonWC1E 6BT, UK

The collisions of electrons with atoms and molecules in the reactor are important phenomena forthe generation and maintenance of a plasma.

The ionization reactions of atoms and molecules by electron collisions induce the generation of elec-trons and ions that maintain the plasma. The dissociation reactions of molecules by electron collisionsgenerate reactive radicals and ions and the chemical reactions of the active radicals are useful for plasmaprocessing.

In addition, the excitation reactions of atoms and molecules by electron collisions emit photons thatare used in optical applications.

Various reactions of atoms and molecules within a plasma enable its use in industrial technology.

Therefore, it is necessary to understand the reaction principles of atoms and molecules in plasmasin order to effectively utilize the plasma state in applications. In this invited talk, we will present theresults of studies on physicochemical aspects of atoms and molecules.

Invited Talks 20

Molecular Simulations for the Spectroscopic

Detection of Biosignature Gases and Other Volatiles

C. Sousa-Silva, J. J. Petkowski, and S. Seager

Massachusetts Institute of Technology, EAPS, 77 Massachusetts Ave, Cambridge UK

Unambiguously identifying molecules in spectra is of fundamental importance for a variety of sci-entific and industrial uses; a compelling modern focus is the spectroscopic detection of volatiles inexoplanet atmospheres, and the assessment of habitability and inhabitability of these planets. Analysesof observational spectra require information about the spectrum of each of its putative components.However, spectral data currently only exist for a few hundred molecules and only a fraction of thosehave complete spectra (e.g. H2O, NH3). Consequently, molecular detections in exoplanet atmospheresare vulnerable to false positives, false negatives and mis-assignments. There is a key need for spectraldata for a broad range of molecules.

Here we present ATMOS (Approximate Theoretical MOlecular Spectra). Using a combinationof experimental measurements, organic chemistry, and quantum mechanics, ATMOS is a programmethat: a) Provides approximate spectral data (band centres and relative intensities) for thousands ofmolecules in seconds. b) Assesses hundreds of molecules simultaneously, highlighting patterns andany distinguishing features. Traditional methods for obtaining spectra are extremely costly and time-consuming (i.e. months/years per molecule); ATMOS will inform prioritization protocols for futurehigh accuracy studies. c) Demonstrates that, at low resolution, individual spectral features couldbelong to a large number of molecules. Molecular detections in spectra are often made by assigningone, or a few, spectral features to a given molecule. ATMOS can highlight ambiguities in such moleculardetections and also direct observations towards spectral regions that reduce the degeneracy in molecularidentification.

Invited Talks 21

Still Not Enough Ultraviolet Opacity in Models of

Cool Star Atmospheres

Jeff A. Valenti

Space Telescope Science Institute, Baltimore, Maryland

Opacity is a fundamental physical property and an essential ingredient in stellar models. Over thedecades, observations of cool stars and the Sun have revealed a variety of opacity sources that wereneglected in models. HST/STIS spectra of cool stars with accurately measured angular diameters revealthat model spectra in the near ultraviolet are too bright by as much as a factor of two over the entirewavelength range. At high spectral resolution it is clear that the model errors are in the ”continuum”between strong lines, rather than the line cores. We infer that one or more continuous opacity sourcesare missing from some commonly used models. The dominant opacity source in the NUV turns out tobe molecular dissociation of CH, NH, and OH. New photoionization cross sections for neutral metalsalso increase opacity. Predicted UV fluxes are now substantially better, but discrepancies remain. UVcontinuum fluxes impact atmospheric structure, abundance determinations for rare elements, stellarpopulation synthesis, and photochemistry in exoplanet atmospheres.

Invited Talks 22

Atomic Data of Sn8-14+ Ions for Laser-produced Tin

Plasmas for Nanolithography

O. O. Versolato

ARCNL (Advanced Research Center for Nanolithography), Amsterdam, The Netherlands

Multiply charged tin ions in laser-produced transient plasmas are the atomic sources of extremeultraviolet (EUV) light for the next generation of nanolithography machines. The current step towardsEUV is crucial for the continued miniaturization of the features on chips represented by Moores law.A detailed understanding of the atomic structure of the relevant tin ions is required to predictivelymodel the emission into the technologically relevant 2% bandwidth around 13.5 nm wavelength. Suchunderstanding would enable constructing opacity tables with the accuracy required for serving as inputfor radiation-hydrodynamics codes. Using the Los Alamos suite of atomic codes the atomic structureof the tin ions was calculated. Predictions for the plasma emission were obtained from the ATOMICcode, and are compared to experimental spectra from dense, Nd:YAG-laser-driven plasma from tinmicro-droplets. Electron-beam-ion-trap measurements, enabling charge-state-resolved spectroscopies oftrapped ions, are used to identify and characterize some specific atomic transitions.

Invited Talks 23

Recent Database Activities of CRAAMD

Yong Wua,b

aInstitute of Applied Physics and Computational Mathematics, Beijing 100088, China

bCenter for Applied Physics and Technology, Peking University, Beijing 100084, P.R. China

China Research Association of Atomic and Molecular Data (CRAAMD) is constituted of groups frommore than ten Chinese Universities and Institutes and focuses on collecting, producing and compilingAtomic and Molecular data (AMdata), which are needed in the related studies of astrophysics, InertialConfinement Fusion (ICF) and X-ray Laser Research, etc. Recent progress of CRAAMD is reviewedin the talk, in particular the activities and the AM data production in the past years. One CRAAMDworkshop has been held on Jan 2018 to plan the activities and programs in the coming years. In thepast two years, extensive AMdata have been produced, compiled and assessed, including atomic andmolecular spectroscopy, electron collisions with atoms and molecules, heavy particles collisions withatoms and molecules, atomic and molecular opacity, stopping power of plasma and so on, which will bepresented in detail in the talk.

We also review the recent progress on AM researches in the Institute of Applied Physics andComputational Mathematics (IAPCM), in particular the studies on electron collisions, heavy particlecollisions and ultrafast dissociation of molecules, in collaboration with the experimental groups fromUniversity of Science and Technology of China and Institute of Modern Physics, Chinese Academy ofSciences.

Contributed Talks

24

Contributed Talks 25

The Measurement of Transition Probabilities using

Fourier Transform Spectroscopy

M. T. Belmonte, J. C. Pickering, C. P. Clear, and F. Concepcion

Blackett Laboratory, Imperial College London, London SW7 2AZ, United Kingdom

Atomic transition probabilities (oscillator strengths, f -values) are widely used in fields as diverseas astronomy and astrophysics, fusion, plasma diagnosis and industry. From obtaining chemical abun-dances in stars, to developing new light sources and lasers, these parameters are needed in a wide varietyof applications. However, users’ needs have not been met yet by the data currently available. For someelements, the scarcity and poor quality of transition probabilities is hindering the development of thesedisciplines. The Fourier Transform Spectrometer (FTS) at Imperial College London, with a resolvingpower of 2 000 000 at 200 nm, provides transition probabilities with uncertainties as low as 5 % by mea-suring intensity calibrated intensities of spectral lines in the vacuum ultraviolet-visible spectral range.We collaborate with the National Institute of Standards and Technology (NIST) and the University ofLund (Sweden) extending these measurements into the infrared.

In this contribution, we will describe our facilities and the methods used to obtain transition prob-abilities in a clear and concise way, providing examples of our latest measurements in Fe I.1 We will payspecial attention to the determination of uncertainties, as well as to the main challenges faced by ourlaboratory. We believe that an understanding of the capabilities of our laboratory by data users willhelp establish new collaborations with communities in need of transition probabilities. Our final aimis to enhance and foster the interaction between producers and users, promoting an enriching two-waydialogue. This will help us to understand the current needs in these fields and focus our efforts on themost pressing ones.

1M. T. Belmonte, J. C. Pickering, M. P. Ruffoni, E. A. Den Hartog, J. E. Lawler, A. Guzman, & U.Heiter 2017, Ap. J. Supp., 848, 125


Accurate New Atomic Data for Astrophysics

Applications: The Spectrum of Ni II

C. P. Clear, J. C. Pickering, M. T. Belmonte, F. Concepcion Mairey, F. Liggins

Imperial College London, Prince Consort Rd, London, SW7 2BZ, UK

Accurate laboratory-measured atomic data are vital for the interpretation of astrophysical spectra.Advances in the resolution and spectral range of space- and ground-based spectrographs have led tourgent needs for improved accuracy of atomic transition wavelengths, energy level values, transitionprobabilities and line broadening data such as isotope structure and hyperfine structure. Data for theiron group elements are of particular importance, due to their line rich spectra and relatively highabundance. Imperial College London has been providing improved atomic data. In this paper we focuson wavelengths and energy levels. Spectral analyses currently in progress include Ni II, Fe III, Mn Iand Mn II.

As an example, we present our recent work on nickel, which has the second highest cosmic abundanceof the iron group elements. Its complex atomic structure produces a densely-populated spectrum in theinfrared (IR) through to the vacuum ultraviolet (VUV), and spectral lines of singly-ionised nickel (NiII) are found in a wide variety of astrophysical spectra. Although progress has been made in measuringnew accurate high resolution data for other singly-ionised iron group elements (Fe II ,V II, Co II and CrII), the most recent large-scale analysis of Ni II dates back to 19701 and an order of magnitude increasein the accuracy of Ni II atomic data is now needed for modern astrophysical applications.2

To achieve this required improvement in transition wavelengths and the energy level structure ofNi II, high resolution Fourier transform (FT) spectra in the IR, visible and VUV have been recorded atImperial College London and NIST (USA). In addition new grating spectra were recorded in the VUVbeyond the FT spectrometer wavelength cutoff at 140nm. An extensive term analysis using these newspectra is close to completion at Imperial College in collaboration with NIST, and we report the resultsof this work here.

We are open to requests for new atomic data.

1A. G. Shenstone 1970, J. Res. Natl. Bur. Stand. Sect A Phys Chem, 74A, 8012J. C. Pickering 2001, Vib. Spectrosc., 29, 27


Self-consistent Model for Ammonia Kinetics

G. Colonna,a A. Laricchiuta,a L. D. Pietanza,a A. Ayilaran,b and J. Tennysonc

aPLASMI Lab Bari CNR NANOTEC (Italy)bQuantemol London (UK)

cUniversity College London (UK)

The construction of a reliable kinetic model of plasma chemistry is a complex problem, requiringaccuracy in a wide range of physical conditions and predictive capabilities. To account for the geo-metrical characteristic of the plasma reactor, 2D/3D plasma dynamic models are necessary,1 with theconsequence that simplified chemical kinetics must be used in order to reduce the computational re-sources to reasonable values. The limits of this approach are the use of empirical rate coefficients tunedto reproduce benchmark experimental results. This kind of models often limits the number of internallevels of atomic and molecular species, considering only electron induced transitions starting from theground state.2 Alternately, more advanced models are based on the Self-Consistent State-to-State (SC-StS) approach,3 where the solution of the Electron Boltzmann Equation (EBE) is solved at the sametime as the chemical kinetics, including complete set of internal levels and the corresponding electroninduced transitions. The N2-H2 mixture is here considered, implementing the macroscopic chemicalscheme of the Quantemol-DB.4,5 This chemistry is of great interest for many different technologicalapplications from the plasma sources of ammonia6, to the N2 puffing in fusion reactors7 or ammoniaor hydrazine-propelled solar thruster for satellites.8 The mutual influence of reactive processes in thekinetics involving ground and excited states for atoms and molecules and of the electron energy distri-bution function is investigated in the discharge and afterglow phases, exploiting the SC-StS model. Theself-consistent approach is able to describe the electron heating during the discharge and the inelasticmechanisms leading to the population of excited states and the equilibration time in the afterglow, dueto second kind collisions, which transfer energy from internal states to electrons, sustaining ionizationand dissociation also when the electric field is null.9

1K. Van Laer and A. Bogaerts 2017, Plasma Processes and Polymers 14, 16001292C. D. Pintassilgo, & V. Guerra 2018, Plasma Physics and Controlled Fusion, in press3G. Colonna, L. D. Pietanza, and G. D’Ammando 2016, Self-consistent kinetics, in Plasma Modeling:

Methods and Applications, IOP Plasma Physics, chap. 84J. Tennyson 2017, Plasma Sources Sci. Technol, 26, 0550145https://www.quantemoldb.com/6J. Hong, S. Pancheshnyi, E. Tam, J. J. Lowke, S. Prawer, & A. B. Murphy 2017, J. Phys. D:

Applied Physics, 50, 1540057S. Abe, R. P. Doerner, & G. R. Tynan 2018, Physics of Plasmas, 25 0735078G. Colonna, G. Capitta, M. Capitelli, I. Wysong, & F. G. Kennedy 2006, Journal of Thermophysics

and Heat Transfer, 20, 7729M Capitelli et al. 2016, in Fundamental Aspects of Plasma Chemical Physics, chapt. 5, 113


A Velocity Dependent X-ray Emission Model for

Charge Exchange with Neutral H, He, and H2

Targets

R. S. Cumbee

NASA/GSFC, Greenbelt, MD, USA

Atomic collisions play a fundamental role in astrophysics, plasma physics, and fusion physics. Here,the focus is on charge exchange (CX) between hot ions and neutral atoms and molecules. Charge ex-change calculations can provide vital information, including neutral and ion density distributions, iontemperatures, elemental abundances, and ion charge state distributions in the astrophysical environ-ments considered. In order to better understand the spectra we observe in astrophysical environmentsin which both a hot plasma and neutral gas are present, a robust CX X-ray emission model is needed.This model should include a complete set of X-ray line ratios for relevant ion and neutral interactionsand energies.

Here, a set of theoretical charge exchange emission spectra calculated with the quantum mechanicalmolecular orbital close coupling (QMOCC), atomic orbital close coupling (AOCC), classical trajectoryMonte Carlo (CTMC), and the multichannel Landau-Zener (MCLZ) methods will be shown. Using acomprehensive, but still far from complete, CX database, a model will be presented for a variety ofX-ray emitting environments. This model will include H-like and He-like C-Al ions colliding with H,H2, and He targets over a range of collision energies. The model will then be applied to M82 and regionsof the Cygnus Loop supernova remnant to highlight the significance of these CX parameters.


Precision Measurement and QED Theory for the

Helium 413 nm Tune-out Wavelength

G. W. F. Drake and J. G. Manalo

Department of Physics, University of Windsor, Windsor, ON N9B 3P4 Canada

At present there is a nearly 2σ disagreement between theory and experiment for the tune-outwavelength of helium near 413 nm. The tune-out wavelength is the wavelength at which the frequencydependent polarizability of an atom vanishes. It can be measured to very high precision by means ofan interferometric comparison between two beams,1 and it provides a novel test of QED for an atomicproperty other than the energy. The 413 nm transition is the one closest to the 1s2s 3S − 1s3p 3Ptransition of 4He.

The purpose of this paper is to present new results for electric quadrupole and finite wavelengthcorrections to the dominant electric dipole polarizability. Previous high precision calculations2,3 havetaken into account relativistic, QED and finite nuclear size effects, but higher multipole and finitewavelength effects have not yet been taken into account. These are the same α2 order of magnitude asthe relativistic corrections, and so may well account for at least part of the discrepancy.

The tune-out wavelength is normally formulated in terms of the ac Stark shift and the frequency-dependent polarizability defined by

αd(ω) = 2∑n

∆E(n)|〈2 3S | e · ~r | n 3P 〉|2

∆E(n)2 − (~ω)2(1)

where ∆E(n) is the virtual excitation energy ∆E(n) = E(n 3P )−E(2 3S), ω is the laser frequency, andthe sum includes an integration over the continuum. The latter was efficiently accomplished by the useof pseudostates generated by diagonalizing the Hamiltonian in a discrete variational basis set consistingof correlated Hylleraas-type functions. The operator e · ~r is just the leading term in the power seriesexpansion of a plane wave. Assuming that the wave is propagating in the x-direction and polarized inthe z-direction, the expansion is

zeikx = z(1 + ikx− (kx)2/2 + · · · ) (2)

where k = ω/c is the wave number of the incident laser. The term ikxz generates quadrupole transitionsto intermediate n 3D states in place of the n 3P states in Eq. (1), and the term z(kx)2/2 generates afinite wavelength correction to the leading dipole term. In addition, there is a relativistic correction tothe tensor polarizability due to a mixing of the 2 3S1 state with n 3D1 states via the Breit spin-spininteraction.3 This has not been taken into account previously, except in the static field limit.4

In order to properly evaluate these higher-order corrections, we propose here a reformulation ofthe problem as a zero in the Rayleigh scattering cross section expressed in the velocity form of theinteraction instead of the length form. The results indicate that the quadrupole polarizability correctionof 0.000 560 nm is a substantial fraction of the QED shift, and it significantly decreases the disagreementbetween theory and experiment. The theoretical value is now 413.090 66(1) nm, in comparison with the

1B. M. Henson, R. I. Khakimov, R. G. Dall, K. G. H. Baldwin, L.-Y. Tang, & A. G. Truscott 2015,Phys. Rev. Lett., 115, 043004

2Y.-H. Zhang, L.-Y. Tang, X.-Z. Zhang, & T.-Y. Shi 2016, Phys. Rev. A, 93, 0525163G.W.F. Drake & Jacob Manalo 2018, ICAP Proceedings, Barcelona4G. W. F. Drake 1970, Phys. Rev. Lett., 24, 765


measurement 413.093 8(9stat)(20sys).1 However, all these effects are of relative order α2 compared with

the QED corrections of order α3 and higher, and must be taken into account before a precision test ofQED can be made.

Comparisons will also be made with previous high-precision calculations for the helium groundstate.5,6

This paper is part of a joint theoretical/experimental project with K. Baldwin et al. (AustralianNational University)1 and L.-Y. Tang et al. (Wuhan Institute of Physics and Mathematics)2 to performa high precision comparison between theory and experiment as a probe of atomic structure, includingrelativistic and quantum electrodynamic effects.

5J. Sapirstein & K. Pachucki 2000, Phys. Rev. A, 63, 0125046M. Puchalski, K. Piszczatowski, J. Komasa, B. Jeziorski, & K. Szalewicz 2016, Phys. Rev. A, 93,

032515


Many-body Theory of Positron and Positronium

Interactions with Atoms

D. G. Green, A. R. Swann and G. F. Gribakin

School of Mathematics and Physics, Queen’s University Belfast, Belfast, BT7 1NN, Northern Ireland,United Kingdom

Positrons and positronium are unique probes that have important use in medical imaging inPET (Positron Emission Tomography) scans, for characterisation of defects and porosity in indus-trially important materials, and in understanding antimatter in the Universe. Accurate interpreta-tion of antimatter-based materials science experiments, and development of next-generation antimat-ter technologies (e.g., traps, accumulators, and PET) require fundamental understanding of positronand positronium interactions with atoms and molecules. Such systems are, however, characterizedby strong positron-atom and positron-electron correlations (e.g., polarization of the atom, and thenon-perturbative process of virtual positronium formation). They significantly affect positron andpositronium interactions with atoms and molecules, in particular modifying the scattering behaviourand enhancing the rate of positron annihilation by orders of magnitude. They also make accurate the-oretical description of the systems a challenging many-body problem. I will review the (diagrammatic)many-body theory of positron and positronium scattering and annihilation with atoms, which has beendeveloped by the authors.1,2 It enables one to take full account of the important correlations, and hasled to complete understanding of the whole body of experimental data for positron interaction withnoble-gas atoms, including the scattering and annihilation,1,2 and cooling3,4 processes. Moreover, wehave recently developed the approach to enable ab initio calculations of positronium interactions withnoble-gas atoms,5 taking account of the important effect of screening of the electron-positron Coulombinteraction by the atom. It has provided the first accurate calculations of pickoff annihilation rates(where the positron annihilates with an atomic electron) for positronium collisions on He and Ne.

1D. G. Green, J. A. Ludlow, and G. F. Gribakin 2014, Phys. Rev. A, 90, 0327122D. G. Green and G. F. Gribakin 2015, Phys. Rev. Lett. 114, 0932013D. G. Green 2017, Phys. Rev. Lett., 119 2034034D. G. Green 2017, Phys. Rev. Lett., 119, 2034045D. G. Green, A. R. Swann, and G. F. Gribakin 2018, Phys. Rev. Lett., 120, 183402


MCDHF and RCI Calculations of Transition Rates

and Lifetimes in Al I and Al II

A. Papoulia,a,b J. Ekman,a P. Jonsson,a and T. Brageb

aGroup for Materials Science and Applied Mathematics, Malmo University, S-20506 Malmo, Sweden

bDivision of Mathematical Physics, Lund University, Post Office Box 118, S-22100 Lund, Sweden

A large number of spectral lines of aluminium ions are observed in the solar spectrum and in manystellar spectra. Aluminium is therefore one of the interesting elements for chemical analysis of the MilkyWay. One example is the Gaia-ESO Survey,1 in which spectra from more than 105 stars are analyzedand elemental abundances, including the one of aluminium, are further determined. However, correctdeduction of elemental abundances requires accurate computed atomic data to serve as a reference.

In this contribution, we report the results from extensive multiconfiguration Dirac-Hartree-Fock(MCDHF) and relativistic configuration interaction (RCI) calculations in neutral and singly ionizedaluminium.2 As a result, a substantial amount of updated atomic data, including transition data in theinfrared spectral region, is made available. These results are of particular importance, since the newgeneration of telescopes are designed for this region.

The calculated excitation energies are in excellent agreement with experimental data from theNIST database. Together with the good agreement between transition probabilities calculated in theBabushkin and Coulomb gauges, this indicates the high accuracy of the produced transition data andlifetimes. The computed lifetimes of Al I are in very good agreement with the measured lifetimes inhigh-precision laser spectroscopy experiments. The same holds for the measured lifetimes of Al II inion storage rings. Comparing with the most recent theoretical and experimental results, there is asignificant improvement in accuracy, in particular for the more complex system of neutral Al I. Wethus believe that the produced atomic data could be used to improve the interpretation of aluminiumabundances in stars.

1http://casu.ast.cam.ac.uk/surveys-projects/ges2A. Papoulia, J. Ekman, and P. Jonsson, A&A, to be published,

https://arxiv.org/abs/1808.09478


Coronal Spectroscopy from the Airborne Infrared

Spectrometer (AIR-Spec)

J. Samra,a E. DeLuca,a P. Judge,b L. Golub,a and C. Madsena

aSmithsonian Astrophysical Observatory, Cambridge, MA, USA

bNCAR High Altitude Observatory, Boulder, CO, USA

A new airborne imaging spectrometer has taken a step toward the direct observation of coronalmagnetic fields by measuring six infrared emission lines in the solar corona. The Airborne InfraredSpectrometer (AIR-Spec) was developed to identify magnetically sensitive coronal lines and assess theirsuitability for future spectropolarimetric observations of the coronal magnetic field. Its observation ofFe IX at 2.84 µ is the first of this line; an unexpected line at 2.85 µ remains unidentified.1

Magnetic field measurements have the potential to enhance our understanding of coronal heating,structure, and dynamics and to improve solar forecasting models, but precise measurements are verydifficult to make due to the weak fields typical of the corona. Two promising measurement techniquesrely on polarization measurements of infrared emission lines. However, the candidate lines must becharacterized before spectropolarimeters can be designed around the most useful ones. The AIR-Specpassbands were designed to target five lines that show promise for future magnetic field observations:Si X/1.43 µ, S XI/1.92 µ, Fe IX/2.84 µ, Mg VIII/3.03 µ, and Si IX/3.93 µ.

During the eclipse observation, AIR-Spec measured the average linewidths, peak intensities, andcenter wavelengths of its five target lines radially outward from the limb at four positions in the corona.Analysis of the radial intensity gradients confirmed predictions for the radiative excitation of each line.Although a 2.85 µ line was detected in one position, the stronger 2.84 µ line was identified as Fe IXbecause of its similarity to the known coronal lines. A set of revised energy levels was produced usingthe measured wavelength1.

AIR-Spec is a slit spectrometer that measures light over a 1.55 Rs field of view in four spectralpassbands between 1.4 and 4 µ. The package includes an image stabilization system, feed telescope,grating spectrometer, and slit-jaw imager. Several follow-on experiments are being proposed to expandon the results from the 2017 eclipse, including a re-flight of AIR-Spec during the 2019 total eclipse,development of a new spectrometer or spectropolarimeter to observe the 2020 eclipse, and a laboratorystudy of infrared coronal emission lines.

1J. E. Samra, P. G. Judge, E. E. DeLuca, & J. W. Hannigan 2018, Ap. J. Lett., 856, L29


Accurate CI-MBPT Transition Probabilities of La II

I. M. Savukov

Los Alamos National Laboratory, Los Alamos, NM 87545, USA

Lanthanide atoms and ions, including La II, are important for astrophysical applications. La II haslarge valence-core polarization correction and conventional configuration-interaction many-body per-turbation theory, CI-MBPT, that includes valence-core correction in the second order is not sufficientlyaccurate. By introducing scaling factors for the second-order screening corrections, it is possible toimprove accuracy for energies and transition probabilities. It is found that CI-MBPT with 10 suchscaling factors, 7 of which can be found from a single-valence La III energies, and the 3 remaining fromfitting, is able to reproduce La II energies and transition probabilities with quite high precision. Here,the La II CI-MBPT calculations of energy levels, g-factors, transition probabilities and lifetimes willbe presented and comparison with experiments and other theories will be given. Comparison showedthat most CI-MBPT theoretical values agree well with experiments and the theory can be used topredict a large number of transitions. Such transitions can be used for applications in astrophysics andother fields. Also, the theoretical approach can be extended to other similar atoms and ions wherevalence-core interactions are large.


Vibrationally-Resolved Electron-Impact Excitation

of Molecular Hydrogen

L. H. Scarlett,a J. K. Tapley,a D. V. Fursa,a J. S. Savage,a I. Bray,a and M. C. Zammitb

aDepartment of Physics and Astronomy, Curtin University, Perth, Western Australia 6102, Australia

bTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, USA

Cross sections for electron-impact excitation of the hydrogen molecule (H2) and its various isotopo-logues are of significant interest for modeling industrial, astrophysical, and fusion plasmas. The majorityof the available data for e-H2 collisions utilizes the fixed-nuclei method, which is a good approximationfor scattering on the ground vibrational level at energies sufficiently far away from excitation thresholds.A limited number of calculations have previously been attempted using the adiabatic-nuclei method,yielding cross sections for scattering on excited vibrational levels. Cross sections resolved in the initialvibrational level of the target are of particular importance for modeling collisions in high-temperatureenvironments, where the molecules are present in a range of excited vibrational states, while calcula-tions of cross sections resolved in the final vibrational levels allow data to be extracted for dissociativeand radiative decay processes. The most comprehensive dataset of vibrationally resolved transitionscurrently available was produced using the semi-classical impact-parameter method,1 which is generallyinaccurate in the low to intermediate energy regions. The molecular convergent close-coupling (CCC)method has previously been utilized to provide an accurate set of electron-impact cross sections forscattering on the ground (electronic and vibrational) state of H2 in the fixed-nuclei approximation.2,3

Here we extend the CCC method to provide a comprehensive set of fully vibrationally resolved crosssections for H2 and its isotopologues. Calculations have been performed for scattering on each of thebound vibrational levels of the ground electronic (X 1Σ+

g ) state to each bound level of a number ofexcited electronic states. Results will also be presented for the dissociative excitation, radiative decay,and radiative decay dissociation processes.

1R. Celiberto et al. 2001, At. Data Nucl. Data Tables, 77, 1612M. C. Zammit et al. 2017, J. Phys. B: At. Mol. Opt. Phys., 50 1230013M. C. Zammit et al. 2017, Phys. Rev. A, 95, 022708


Laboratory Measurements Support Charge

Exchange Mechanism for the Intriguing ∼3.5 keV

’Dark Matter’ Emission Line

C. Shah,a S. Dobrodey,a S. Bernitt,a R. Steinbruge,a L. Gu,b J. Kaastra,b

and J. R. Crespo Lopez-Urrutiaa

aMax Planck Institute for Nuclear Physics, Heidelberg, Germany

bSRON Netherlands Institute for Space Research, Utrecht, The Netherlands

A mysterious X-ray line at 3.5 keV from galaxy clusters1 recently sparked attention in the scientificcommunity, resulting in a tide of publications attempting to explain its origin. Originally it was hypoth-esized as emission due to the decay of dark matter particles (sterile neutrinos), presumably based on thefact that this X-ray line is not available in the standard spectral databases and models. Recently, analternative explanation was proposed:2 charge exchange between bare sulfur ions and atomic hydrogenleading to emission at 3.5 keV by a set of S15+ transitions from n ≥ 9 to the ground states.

We performed laboratory experiments to measure X-ray spectra of highly charged sulfur ions fol-lowing charge exchange with gaseous molecules in an electron beam ion trap. We produced bare S16+

and H-like S15+ ions and let them capture electrons in collisions with molecules, while recording X-rayspectra. The 3.5 keV transition clearly shows up in the experiment under a broad range of conditions.The inferred X-ray energy of 3.47 ± 0.06 keV is in accord with both the astrophysical observations andtheoretical calculations.3 We conclude that charge exchange between bare sulfur and hydrogen atomscan explain the mysterious signal at around 3.5 keV.

3 0 0 0 3 2 0 0 3 4 0 0 3 6 0 0 3 8 0 0 4 0 0 0

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0 . 4

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0 . 0 4

3 0 0 0 3 2 0 0 3 4 0 0 3 6 0 0 3 8 0 0 4 0 0 0- 0 . 0 0 4

0 . 0 0 0

0 . 0 0 4

0 . 0 0 8

E x p e r i m e n t : S 1 6 + + C S 2 3 . 4 7 0 . 0 6

Relat

ive in

tensity

M o d e l : S 1 6 + + H l o w - e n e r g y w e i g h t i n g s - d o m i n a n t c a p t u r e

(Obs

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on-M

odel)

/Mod

el

B u l b u l e t a l . ( 2 0 1 4 ) 3 . 4 9 0 . 0 2

0 . 0 0 0 0

0 . 0 0 0 5 3 . 5 1 0 . 0 3U r b a n e t a l . ( 2 0 1 5 )

3 . 5 5 0 . 0 3B o y a r s k y e t a l . ( 2 0 1 4 )

X - r a y e n e r g y ( e V )

Figure 1. Experimental charge-exchange-induced X-ray spectrum in comparison with recently reportedastrophysical X-ray observations.

1E. Bulbul et al. 2014, Ap. J., 789, 132L. Gu et al. 2015, A & A, 584, L113C. Shah et al. 2016,, Ap. J., 833, 52


Accurate Molecular Hydrogen Spectroscopy and

Comparison with ab initio Line-Shape Calculations

S. Wojtewicz,a,b R. Gotti,a D. Gatti,a M. Lamperti,a P. Wcis lo,b H. Jozwiak,b

F. Thibault,c P. Jankowski,d K. Szalewicz,e K. Patkowski,f and M. Marangonia

aPhysics Department of Politecnico di Milano and IFN-CNR, Via Gaetano Previati 1/C, Lecco 23900,Italy

bInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University,Grudziadzka 5, 87-100 Torun, Poland

cInstitut de Physique de Rennes, UMR CNRS 6251, Universite de Rennes 1, Campus de Beaulieu,Bat.11B, Rennes F-35042, France

dFaculty of Chemistry, Nicolaus Copernicus University, Gagarina 7, 87-100 Torun, Poland

eDepartment of Physics and Astronomy, University of Delaware, Newark, DE 19716, USA

fDepartment of Chemistry and Biochemistry, Auburn University, Auburn, AL 36849, USA

Nowadays highly refined theoretical determinations of rovibrational transition energies of molecularhydrogen can reach the remarkable level of 4 × 10−5 cm−1.1 This opens an intriguing way to testquantum electrodynamics (QED) for molecules as well as to study new physics beyond the StandardModel.2 In the Doppler regime the measurement of transition frequencies is complicated by a numberof line-shape effects contributing to the line asymmetry. Since collisional effects are very pronounced inthe case of molecular hydrogen its line shapes are even more difficult to model.3

We present and discuss here highly-accurate measurements of the weak quadrupole transitions inthe (2← 0) band of D2 lying around 1.57 µm. The self-perturbed spectra measured at various pressures,spanning from 100 to 900 Torr, were collected with a frequency-agile rapid-scanning cavity ring-downspectrometer (FARS-CRDS) linked to an optical frequency comb (OFC) referenced to a GPS-disciplinedRb clock.4 To describe the collisional line-shape effects we performed ab initio quantum scatteringcalculations based on a new potential energy surface, that is significantly more accurate than any otherthat reported so far,5 to describe the collisional line-shape effects. These calculations allowed us tomitigate the collisional systematics and reach the sub-MHz accuracy of the line position. The finalresults are compared with data available in the literature.

The research is supported by the Polish National Science Centre Project no. 2015/17/B/ST2/02115and by the Polish Ministry of Science and Higher Education program “Mobility Plus” through GrantNo. 1663/MOB/V/2017/0.

1P. Wcis lo, F. Thibault, M. Zaborowski, S. Wojtewicz, A. Cygan, G. Kowzan, P. Mas lowski, J.Komasa, M. Puchalski, K. Pachucki, R. Ciury lo, and D. Lisak 2018, JQRST, 213, 41

2W. Ubachs, J. C. J. Koelemeij, K. S. E. Eikema, and E. J. Salumbides 2016, J. Mol. Spectrosc.,320, 1

3P. Wcis lo, I. E. Gordon, C.-F. Cheng, S.-M. Hu, and R. Ciury lo 2016, Phys. Rev. A, 93, 0225014R. Gotti, D. Gatti, P. Mas lowski, M. Lamperti, M. Belmonte, P. Laporta, and M. Marangoni 2017,

J. Chem. Phys., 147, 1342015G. Garberoglio, P. Jankowski, K. Szalewicz, and A. H. Harvey 2012, J. Chem. Phys., 137, 154308


Towards a Low-Temperature Hydrogen Plasma

Opacity Table

M. C. Zammit,a J. Colgan,a C. J. Fontes,a D. P. Kilcrease,a P. Hakel,a J. Leiding,a

E. Timmermans,a J. S. Savage,b D. V. Fursa,b and I. Brayb

aLos Alamos National Laboratory, Los Alamos, United States

bCurtin University, Perth, Australia

Hydrogen plasmas are ubiquitous throughout the interstellar medium and are essential in the op-eration of tokomak fusion plasmas devices. Such plasmas are cool enough to allow for significantpopulations of molecules, which greatly influence the dynamics of the plasmas, particularly on theedge of magnetically confined plasmas and in the divertor region. Studies of molecular plasmas bothin local thermodynamic equilibrium (LTE) and non-LTE require state-resolved (electronic, vibrationaland rotationally resolved) transition cross sections or rate coefficients to calculate populations (for non-LTE plasmas), opacities and emissivities. Over the last couple of years we have worked on generatingphoton-H+

2 and -H2 data in a self-consistent approach, with the goal of producing a self-consistent low-temperature hydrogen opacity table. Here we present state-resolved results of photodissociation andradiative association of H2 and its isotopologues (D2, T2, HD, HT, and DT), and preliminary resultsof low-temperature hydrogen plasma equations of state and opacities.


NLTE Spectral Analysis with High Molecular

Excitation Data

Z. E. Zhang,a S. J. Cummings,a B. H. Yang,a K. M. Walker,a G. J. Ferland,b

R. S. Cumbee,c R. C. Forrey,d N. Balakrishnan,e and P. C. Stancila

aDepartment of Physics and Astronomy and Center for Simulational Physics, University of Georgia,Athens, GA, 30602, USA

bDepartment of Physics and Astronomy, University of Kentucky, Lexington, KY, 40506, USA

cNASA Goddard Space Flight Center, Greenbelt, MD, 20771, USA

dDepartment of Physics, The Pennsylvania State University, Berks Campus, Reading, PA 19610, USA

eDepartment of Chemistry and Biochemistry, The University of Nevada, Las Vegas, 4505 S. MarylandPkwy, Las Vegas, NV 89154

High excitation molecular emissions assist to gain insights of physical and chemical processes in di-verse astrophysical environments, unveiling complex features and activities. In UV-irradiated regions,such as photodissociation regions (PDRs) and AGB star envelopes, molecules are excited both rotation-ally and vibrationally. Molecular spectral analysis of these regions requires collisional rate coefficients,with high excitation data previously of limited availability. Using advanced scaling method and theo-retical calculation, we construct comprehensive collisional rate coefficient datasets for CO and SiO, withhigh rovibrational excitation levels and multiple colliding partners. We also updated H2- H2 collisionalrates up to J = 31 with new calculations. With these data, we perform non-local thermodynamicequilibrium (NLTE) spectral simulations with CLOUDY, a spectral synthesis code designed to simulateconditions in interstellar matter under a broad range of conditions. Here we present detailed models ofVY Canis Majoris, IRC +10216 and Orion Bar, investigating their molecular properties. These datasetsshould assist astrophysical modelling with high rovibrational NLTE analysis, and find wide applicationto other molecular environments.

Database Demonstrations

40


Quantemol DB - Trusted Chemistries for Plasma

Research

B. Cooper,a M. Tudorovskaya,b A. Ayilaran,b M. Hanicinec,b

A. Dzarasova,b S. Mohr,b and J. Tennysona

aDepartment of Physics and Astronomy, University College London, London, UK

bQuantemol Ltd., London, UK

One of the most challenging and recurring problems when modelling plasmas is the lack of data onthe key atomic and molecular reactions that drive plasma processes. Even when there are data for somereactions, complete and validated datasets of chemistries are rarely available. This hinders research onplasma processes and curbs development of industrial applications. The QDB project1 aims to addressthis problem by providing a platform for provision, exchange and validation of chemistry datasets. QDBcollates published data on both electron scattering and heavy-particle reactions. These data are formedinto reaction sets, which are then validated against experimental data where possible. This processproduces both complete chemistry sets and identifies key reactions that are currently unreported in theliterature. Gaps in the datasets can be filled using established theoretical methods.

The database now contains 17491 reactions, where a large amount of the data has come fromcombustion processes. QDB has an Application Process Interface (API) for QVT - Quantemol’s softwarefor modelling plasmas, as well as ready-to-use inputs for COMSOL, Globalkin and VizGlow. QDB nowprovides 39 chemistry sets that are complete - containing sufficient reactions to characterise the plasma,consistent - balanced such that they are representative of the true plasma composition, and wherepossible are validated for a specific set of reaction conditions. Apart from preassembled chemistry setsfor selected gas mixtures, QDB contains a dynamic chemistry generator. This allows users to constructa chemistry set for any given gas mixture with data from QDB with guidance on which reactions orspecies to include for given set of process parameters.

The number of possible reactions in a plasma mixture can be extremely large due to the speciescontained in the feed gas mixture and secondary species created as part of the plasma activation pro-cess, which are often radicals or ions. Reducing the chemistries from a full set of potential reactionsand species to a set tailored for specific process parameters is essential, as it decreases the calcula-tion time, improves the stability of the simulation, and simplifies the analysis of important reactionpaths. Quantemol are looking to automate the process of reducing chemistries using machine learningtechniques.

The biggest obstacle remains proper validation. Individual experiments usually concentrate onfundamental plasma parameters such as electron density and temperature or final results such as etchrates or profiles. For a comprehensive validation, both are necessary to better validate, for example,gas phase and surface processes independently. Users are encouraged to upload new data using theinterface on the QDB website (www.quantemoldb.com), as well as provide feedback for existing data.

1J. Tennyson, et al. 2017, Plasma Sources Sci. Technol., 26, 055014


VAMDC and Data Citation : The Query Store

M. L. Dubernet,a C. M. Zwolf,a N. Moreau,a Y. A. Ba,a and VAMD Consortiumb

aLERMA, Observatoire de Paris, PSL Research University, CNRS, France

bhttp://www.vamdc.org

The “Virtual Atomic and Molecular Data Centre Consortium” (http://www.vamdc.eu, VAMDCConsortium)1 is a worldwide consortium which federates Atomic and Molecular databases through an e-science infrastructure and an organisation to support this activity (http://www.vamdc.org/structure/how-to-join-us/). About 90% of the inter-connected databases handle data that are used for the interpreta-tion of astronomical spectra and for the modeling in media of many fields of astrophysics. The VAMDCConsortium has connected databases from the radiation damage and the plasma communities.

The current VAMDC e-infrastructure interconnects about 36 atomic and molecular databases thatcover atomic and molecular spectroscopy and processes. VAMDC offers a common entry point to allencorporated databases through the VAMDC portal (http://portal.vamdc.eu) and VAMDC developsalso standalone tools in order to retrieve and handle the data. VAMDC provides software and supportin order to include new databases within the VAMDC e-infrastructure. One current feature of VAMDCe-infrastructure is the constrained environment for the description of data, in particular the XSAMSschema2 and other standardized protocols (http://www.vamdc.org/standards) that ensure a higherquality for the distribution of data. The talk will present the VAMDC Consortium, the VAMDC e-infrastructure with the current status of its underlying technology, its services, current work beingcarried out in order to improve the infrastructure as well as discussions towards a synergy betweenVAMDC and IVOA. VAMDC is opened to new collaborations in order to support creation of tools for theusers community. Recently VAMDC, commissioned by the Research Data Alliance (https://www.rd-alliance.org/groups/data-citation-wg.html), has implemented the recommendations of the RDA datacitation group. Within this context a first work has been done on provenance of datasets3 which impactsthe XSAMS schema, and a second work, for which RDA provided funding to VAMDC Consortium, hasimplemented the concept of Query Store4. The talk will briefly present the VAMDC Consortium, theVAMDC e-infrastructure with the current status of its underlying technology (some of it inherited fromIVOA), its services, the new feature of Query Store related to data citation, as recommended by theResearch Data Alliance (RDA). It will underline how usage of VAMDC will increase the impact factorof A&M producers5 and will offer a more reliable citation of A&M datasets included in applicationfields.

1M. L. Dubernet et al. 2016, J. Phys. B: At. Mol. Opt. Phys., 49, 0740032Y. Ralchenko et al. 2009, AIP Conf. Proc. (6th ICAMDATA, Beijing), 1125, 2073C. M. Zwolf, N. Moreau, M. L. Dubernet 2016, J. Mol. Spect. B, 327, 122-1374C. M. Zwolf, N. Moreau, Y. A. Ba, M. L. Dubernet, submitted July 2018, Data Science Journal,

“Implementing in the VAMDC the new paradigms for data citation from the Research Data Alliance”5N. Moreau, C. M. Zwolf, Y. A. Ba, C. Richard, V. Boudon, M. L. Dubernet, “The VAMDC

Portal as a Major Enabler of Atomic and Molecular Data Citation” 2018, Galaxies, 6(4), 105;https://doi.org/10.3390/galaxies6040105


AtomDB and PyAtomDB: Spectral Modeling for

X-ray Astronomy

A. R. Foster, R. K. Smith, and N. S. Brickhouse

Harvard-Smithsonian Center for Astrophysics, 60 Garden St, Cambridge, MA 02138

AtomDB1 is an atomic database for modeling X-ray spectra from collisionally ionized astrophysicalplasmas. It is widely intergrated into spectral analysis packages, in particular through the widely usedAPEC model. During the past few years, we have completely switched the AtomDB backend from amonolithic C code which calculated the X-ray spectra, to a modular Python structure.

As a result of the change, we now have a suite of access and spectral generation tools available. Wehere present the steps to getting from atomic data to an X-ray spectrum generated using astrophysicalplasma tools, as well as how to update or modify the database when extra atomic data is needed orwhen existing data is found to be inadequate.

AtomDB, http://www.atomdb.org, is funded in part by the NASA ADAP program, Contract No.80NSSC18K0283.

Foster A. R. Smith R. K. Brickhouse N. S.

1R. K. Smith, N. S. Brickhouse, D. A. Liedahl, J. C. Raymond, 2001, Ap. J. Lett., 556, 91; A. R.Foster, L. Ji, R. K. Smith, N. S. Brickhouse, 2012, Ap. J., 756, 128


HITRAN2016: Spectroscopy Meets Data Science

I. E. Gordon,a L. S. Rothman,a Y. Tan,a R. V. Kochanov,a

R. J. Hargreaves,a E. K. Conway,a and C. Hillb

aHarvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, CambridgeMA, USA

bInternational Atomic Energy Agency (IAEA), Vienna, Austria

The HITRAN molecular spectroscopic database is an indispensible tool in multiple areas of scienceand engineering with thousands of active users around the globe. HITRAN2016 1 is the current offi-cial release of the database, featuring line-by-line parameters for 49 molecules, cross-sections for 325molecules and collision-induced absorption (CIA) parametrization for different collisional pairs. HI-TRAN data are cast into modern SQL structure and interface2 accessible through (www.hitran.org).A powerful application programming interface (API) called HAPI3 provides additional power to theHITRAN users. Apart from flexible access to the data HAPI allows users to carry out sophisticatedmodelling and simulations using HITRAN parameters. Moreover, the graphical user interface (GUI)HAPIEST (HAPI and Efficient Spectroscopic Tools) is available on GitHub4 and enables the user toaccess the HAPI functionality without installation of Python and its libraries. All of these tools will bedemonstrated at the meeting

Finally, the status and future plans for the HITEMP database5 will also be discussed.

The HITRAN database is supported by NASA AURA and PDART program grants NNX14AI55Gand NNX16AG51G.

1I. E. Gordon, et al. 2017, JQSRT, 203, 32C. Hill, I. E. Gordon, et al. 2016, HITRANonline: An online interface and the flexible representation

of spectroscopic data in the HITRAN database, JQSRT, 177, 43R. V. Kochanov et al. 2016, JQSRT, 177, 154https://github.com/hitranonline/hapiest5L. S. Rothman et al. 2010, JQSRT, 111, 2139


Phys4EntryDB: A Database of State-Resolved Cross

Sections and Rate Coefficients for Plasma Modeling

A. Laricchiuta

PLASMI Lab Bari CNR NANOTEC, Bari (Italy)

The phys4entry DB (http://phys4entrydb.ba.imip.cnr.it/Phys4EntryDB/) is a database of state-selected dynamical information for elementary processes relevant to the state-to-state kinetic modelingof planetary-atmosphere entry conditions1. The DB is intended to the challenging goal of complement-ing the information in the existing web-access databases, collecting and validating data of collisionaldynamics of elementary processes involving ground and excited chemical species, with resolution on theelectronic, vibrational and rotational degrees of freedom. Three relevant classes of elementary process-es are considered, i.e. electron-molecule collisions, atom/molecule-molecule collisions, atom/moleculesurface interaction, constructing a taxonomy for process classification.

Data populating the DB are largely originated by the coordinated research activity done in theframe of the Phys4Entry FP7 project2, considering different theoretical approaches from quantum tosemi-classical or quasi-classical molecular dynamics. Nevertheless the results, obtained in the Bariplasma chemistry labs in years of research devoted to the construction of reliable state-to-state kineticmodels for hydrogen and air plasmas, are also transferred to the DB.

Two DB interfaces have been created for different roles allowed to different actions: the contrib-utor, uploading new processes, and the inquirer, submitting queries, to access the complete infor-mation about the records, through a graphical tool, displaying energy or roto-vibrational dependenceof dynamical data, or through the export action to download ascii datafiles.

The DB is expected to have a significant impact on the modeling community working also in scientificfields different from the aerothermodynamics (i.e. fusion, environment, . . . ), making practicable thestate-to-state approach.

1R. Celiberto, I. Armenise, M. Cacciatore, M. Capitelli, F. Esposito, P. Gamallo, R. K. Janev, A.Lagana, V. Laporta, A. Laricchiuta, A. Lombardi, M Rutigliano, R. Sayos, J. Tennyson, J. M. Wadehra(2016). Atomic and molecular data for spacecraft re-entry plasmas (Topical Review). Plasma SourcesScience and Technology, 25(3), 033004

2European Community’s Seventh Framework Programme (FP7/2007-2013) under grant agreementn. 242311


NIST Atomic Spectra Databases

K. Olsen, A.E. Kramida, J. Reader, E.B. Saloman, Yu. Ralchenko

National Institute of Standards and Technology, Gaithersburg, MD, USA

In the area of Atomic Spectroscopy Data, the National Institute of Standards and Technologydevelops and maintains numerous databases and tools.1 The Atomic Spectra Database (ASD)2 containsdata including energy levels, wavelengths, radiative transition probabilities, and ionization energies foratoms and ions.

Over the past decade, there have been many additions, improvements and enhancements. Thebibliography database has been integrated with the Atomic Spectra Database. The Web interfacehas been enhanced by inclusion of direct links to online articles and Digital Object Identifiers in thebibliographic references. An option to search for references on isotopes has been added to the searchform. For the three bibliographic databases, a system was developed so that data can be quicklyupdated and any new references added to the database are available weekly.

• NIST Atomic Transition Probability Bibliographic Database,3

• NIST Atomic Spectral Line Broadening Bibliographic Database,4

• NIST Atomic Energy Levels and Spectra Bibliographic Database.5

Additional databases included:

• Spectrum of Th-Ar Hollow Cathode Lamps,6

• FLYCHK Collisional-Radiative Code,7 SAHA Plasma Population Kinetics Database,8 NLTE4Plasma Population Kinetics Database.9

During the poster session, a poster titled “NIST Atomic and Molecular Databases” will be presented.

1https://pml.nist.gov/data2https://pml.nist.gov/asd, DOI: 10.18434/T4W30F3https://pml.nist.gov/fvalbib, DOI: 10.18434/T46C7N4https://pml.nist.gov/linebrbib, DOI: 10.18434/T4B59K5https://pml.nist.gov/elevbib, DOI: 10.18434/T40K536https://pml.nist.gov/thar, DOI: https://dx.doi.org/10.18434/T4S01V7https://nlte.nist.gov/FLY/8https://nlte.nist.gov/SAHA/9https://nlte.nist.gov/NLTE4/

Posters

47

Posters 48

Radiative Atom-Atom and Atom-Ion Collisional

Processes

J. F. Babba and B. M. McLaughlina,b

aITAMP, Harvard-Smithsonian Center for Astrophysics, Cambridge MA 02138, USA

bCTAMOP, School of Mathematics & Physics, Queen’s University Belfast, Belfast BT7 1NN,Northern Ireland, UK

Radiative collisional processes between two atoms or between and atom and an ion can be sourcesof molecules and mechanisms of energy transfer in low density and low temperature gases appearingin astrophysical environments and ultracold laboratory experiments. We will describe some recentcalculations of cross sections and rate coefficients for collisions of C and H+ forming CH+ by theradiative association process.1 We also discuss collisions of C and He+ forming C+ and He and thoseof Ar and He+ forming Ar+ and He by radiative charge transfer processes.2,3

We also will describe new calculations of potential energies and transition dipole moments for CHand their applications to calculations of the rate coefficient for the formation of CH by the radiativeassociation of C and H, which is sensitive to a potential energy barrier of uncertain magnitude in theB 2Σ− state of CH.

We remove the uncertainty utilizing new ab initio calculations presented here and recently compiledand evaluated molecular data. We calculate the cross sections quantum-mechanically and evaluate ratecoefficients for the radiative association process. We compare our quantum-mechanical calculations withresults calculated using distorted wave optical potential theory and Breit-Wigner resonance theory.

This work was partially supported by a Smithsonian Scholarly Studies award and by ITAMP, whichis supported by the NSF through a grant to Harvard University and the Smithsonian AstrophysicalObservatory.

1J. F. Babb & B. M. McLaughlin 2017, MNRAS, 468, 20522J. F. Babb & B. M. McLaughlin 2017, J. Phys. B, 50, 0440033J. F. Babb & B. M. McLaughlin 2018, Ap. J., 860, 151.

Posters 49

Transverse Free-Electron Target for the Heavy-Ion

Storage Ring CRYRING@ESR

C. Brandau,a.b A. Borovik, Jr.,a B. M. Dohring,a B. Ebinger,a M. Lestinsky,b

T. Molkentin,a A. Mullera and S. Schippersa

aJustus-Liebig-Universitat Gießen, 35392 Giessen, GermanybGSI-Helmholtzzentrum fur Schwerionenforschung, 64291 Darmstadt, Germany

A high-density free-electron target is planned to be installed in the experimental section YR09of the CRYRING@ESR storage ring in the frame of the upcoming Facility for Anti-proton and IonResearch (FAIR). 1,2,3,4,5 The target has been designed to produce intense ribbon-shaped electronbeams for interaction with a stored ion beam at an angle of 90. Electron beams can be produced atenergies up to 12.5 keV employing various operation modes that are optimized for the requirements ofspecific experiments with an emphasis on photon-spectroscopy studies in a storage-ring environment.The present contribution reports on the project status and highlights the experimental opportunitiesof employing such a free-electron target at a heavy-ion storage ring.

Figure 1. The CAD model of the present electron target. The electron beam is directed from top tobottom. The ion beam passes the gun through the shielding apertures at the front and at the back.The interaction volume, open from both sides, provides a large solid angle for photon spectroscopy.

1M. Lestinsky et al. 2016, Eur. Phys. J Spec. Top. 225, 7972Z. Andelkovic et al. 2015, Technical Design Report: Experimental Instrumentation of

CRYRING@ESR, http://www.fair-center.eu/en/en/for-users/experiments/appa/documents.html3M. Lestinsky et al. 2015, Phys. Scr. T166, 0140754C. Brandau et al. 2015, GSI Scientic Report (ed. Grosse, K.), p. 1435C. Brandau et al. 2016, GSI Scientic Report (ed. Grosse, K.), p. 240

Posters 50

Laboratory Astrophysics with Multicharged Ions at

the CU-EBIT User Facility

S. J. Bromley, C. E. Sosolik, J. E. Harriss, and J. P. Marler

Department of Physics and Astronomy, Clemson University, Clemson, South Carolina, 29634, USA

Understanding the spectra and underlying physics of astrophysical plasmas requires charge-state andenergy-resolved cross sections for ion-neutral combinations. The Clemson University Electron BeamIon Trap enables the production of multi- to highly-charged ions by interacting neutral species with acompressed, high current, high energy electron beam. We present updates on the experimental effortsunderway at Clemson University, including cross section measurements using singly charged ions ina gas cell. In an effort to expand the capabilities of this system to produce metal ions, we present apreliminary design of a gas jet system intended for introducing evaporated metal-containing compoundsinto the CU-EBIT. This injection system will allow us to perform experiments at the end of the beamlinewith metals relevant to astrophysics and recently observed neutron star mergers. A second gas jet isalso being prepared for studying charge-exchange induced x-ray, UV, and visible emission at the endof the extraction beamline. This gas jet will be incorporated into a future COLTRIMS apparatus thatwill perform coincident charge exchange cross section and x-ray spectroscopy measurements for low ZHCIs interacting with H, H2, and He targets.

Posters 51

Extreme Ultraviolet Emission Spectra of

Laser-produced Antimony Plasmas

S. Q. Cao, M. G. Su*, Q. Min, D. X. Sun, L. Wu, S. Q. He, P. P. Ma,K. P. Wang, H. D. Lu and C. Z. Dong*

Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, Collegeof Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, P. R. China

The spectra of high charged ions of mid- and high-Z elements are of interest for a number ofapplication requirements in short wavelength light sources, astrophysics and fusion research. Extremeultraviolet (EUV) spectra of highly charged ions from laser-produced plasmas are extensively studiedto develop the EUV lithography which is regarded as one of the most promising techniques amongthe next generation lithography in semiconductor industry. In this work, the EUV emission spectraof laser-produced antimony (Sb) plasmas have been measured using spatio-temporally resolved laser-produced plasma spectroscopy technique. The spectrum measurement ranges from 7 nm to 16 nm.The experimental spectrum is shown in Fig. 1 (the black solid line), which is dominated by an intensequasi-continuous band and some strong characteristic radiation is superimposed on the band. We alsofound strong radiation near 13.5 nm. We have studied the spectral characteristics used our analysissoftware.1 Our results show the dominate transitions from 4d-4f and 4d-5f of Sb7+- Sb13+, accordingto Hartree-Fock calculations that evaluated configuration interaction effects.2

Figure 1. The experimental spectrum of laser-produced Sb plasmas (black solid line) and 4d-4f ,5ftransitions of Sb7+- Sb13+ (blue vertical line).

*nwnu [email protected]; [email protected]. This work was supported by National Key Researchand Development Program of China(2017YFA0402300); National Natural Science Foundation of China(NSFC) (11874051,11364037).

1S. Q. Cao, M. G. Su, Q. Min, D. X. Sun, G. OSullivan, & C. Z. Dong 2018, Phys. Plasmas, 25,023304

2R. D. Cowan 1981, The Theory of Atomic Structure and Spectra (Berkeley: U. of California Press)

Posters 52

Improvement of NIFS Atom and Molecular

Database

M. Emoto, I. Murakami, D. Kato, M. Kato, M. Yoshida, and S. Imazu

National Institute for Fusion Science, Toki, 509-5292 Japan

NIFS Database is an atomic and molecular numerical database for collision processes that areimportant for fusion research, and it has been available via the Internet since 1997. This databaseprovides 1) the cross sections and rate coefficients for ionization, excitation and recombination by elec-tron impact, 2) charge transfer by heavy particle collision, and collision processes of molecules, and 3)sputtering yields of solids, and back scattering coefficients from solids. It also offers the bibliographicdatabase. Recently, the authors have reconstructed the database system. The main purpose of thereconstruction is to migrate into open-source architecture to make the system more flexible and exten-sible. The previous system used proprietary software, and was difficult to customize. On the otherhand, the new system consists of open source software, such as, PostgreSQL database and Ruby onRails. New features are also added to the system. The most important one is the interface to VAMDC.Using this interface, the researchers can search data in NIFS database as well as various databases inthe Internet at one time.

Posters 53

Model Charge Exchange With AtomDB: Converting

Fundamental Atomic Data to Spectral Models

A. R. Foster, R. K. Smith, and N. S. Brickhouse

Harvard-Smithsonian Center for Astrophysics, 60 Garden St, Cambridge, MA 02138

AtomDB1,2 is an atomic database for modeling X-ray spectra from collisionally ionized astrophysicalplasmas. In 2014, we released a toy model for X-ray charge exchange (CX) emission, and successfullyused it to model soft X-ray emission from the Diffuse X-ray Spectrometer mission.3

We have now included significantly updated CX cross section data from the Kronos4,5 projectinto the AtomDB CX model, and have released version 2. This new data allows modeling of morerealistic physics, including velocity dependence, and leads to a significant upgrade to the model. At thesame time, it introduces issues which are not easily resolved when switching between models: how toavoid “jumps” in the data when switching models, how to handle incomplete databases, and, for useby spectral modelers, how to reduce these issues into a tractable set of model or fit parameters. Wehere describe the new model, our approach to handling these issues, and provide examples of use (andpotentially abuse!) of the model.

1R. K. Smith, N. S. Brickhouse, D. A. Liedahl, & J. C. Raymond 2001, Ap. J. Lett., 556, 912A. R. Foster, L. Ji, R. K. Smith & N. S. Brickhouse 2012, Ap. J., 756, 1283R. K. Smith, A. R. Foster, R. E. Edgar, & N. S. Brickhouse 2014 Ap. J., 787, 774P. D. Mullen et al. 2017, Ap. J., 844, 75R. S. Cumbee et al. 2018, Ap. J., 852, 7

Posters 54

X-ray Measurements of Highly Charged Ar

Produced in an Electron Beam Ion Trap

A. C. Gall,a A. R. Foster,b S. W. Buechele,c R. Silwal,a J. M. Dreiling,c

Yu. Ralchenko,c and E. Takacsa,c

aDepartment of Physics and Astronomy, Clemson University, Kinard Lab, Clemson, SC 29634-0978,USA

bHarvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138, USA

cNational Institute of Standards and Technology Gaithersburg, MD 20899, USA

Electron Beam Ion Traps (EBITs) are small laboratory devices that can be used to create and traphighly charged ions (HCIs) for spectroscopic investigations. Emission generated by HCIs can be usedfor plasma diagnostics, making the data produced from EBITs useful for astrophysics and fusion plas-ma research. Astrophysically relevant K- and L-shell x-ray measurements of He-like Ar taken at theNational Institute of Standards and Technology (NIST) EBIT facility are presented, demonstrating ourability to systematically produce and measure process-specific features such as those from dielectron-ic recombination and electron impact excitation. X-ray emission measured from the non-Maxwelliancollisionally-ionized EBIT plasma are compared to spectra produced by collisional-radiative modelsincluding the astrophysical plasma emission code (APEC)1and NOMAD2. While the NOMAD spec-tra reproduce EBIT measurements well, we find missing emission in the APEC spectra resulting frommissing atomic data in the database AtomDB.3

1R. K. Smith, N. S. Brickhouse, D. A. Liedahl, & J. C. Raymond 2001, Ap. J. Lett., 556, 912Yu. V. Ralchenko, & Y. Maron 2001, JQRST, 71, 6093A. R. Foster, L. Ji, R. K. Smith, N. S. Brickhouse 2012, Ap. J., 756, 128

Posters 55

HITEMP: Extensive Linelists of Molecular

Spectroscopic Parameters for High-Temperature

Applications

R. J. Hargreaves, Y. Tan, R. V. Kochanov, L. S. Rothman, and I. E. Gordon

Harvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, 60 GardenStreet, Cambridge, MA 02138, USA

The high temperatures observed for some exoplanets, brown dwarfs and stars significantly increasethe number of lines needed to model their atmospheres. These lines are also important when monitoringand modelling combustion processes. The HITEMP database1 has been developed to be used for hightemperature environments, and the current version (HITEMP 2010) contains line parameters for fivemolecules (i.e., H2O, CO2, CO, NO, and OH). Some molecules, originally omitted due to limited orinaccurate high temperature data, have now become important for the characterization of exoplanets,cool stars and brown dwarfs (e.g., CH4). There has been a significant increase in the amount oftheoretical and experimental data, which allows the HITEMP database to be substantially updatedand extended. An outline for the next major update of HITEMP will be presented, with a briefdescription of the aims and difficulties that will need to be addressed.

1L. S. Rothman et al. 2010, JQSRT, 111, 2139

Posters 56

Measurement and Analysis of EUV Emission

Spectrum from Laser Produced Zn Plasma

S. Q. He, M. G. Su*, Q. Min, S. Q. Cao, L. Wu, H. D. Lu, D. X. Sun and C. Z. Dong

Key Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province, Collegeof Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, P. R. China.

Highly charged ions of medium and high-Z elements exist widely in astrophysical, fusion and laboratoryplasmas. Spectral structure analysis of highly-charged ions ablated by the high power density laserpulse can reveal information on the plasmas, such as electron temperature, electron/ion density, particleand energy transport, and the evolution of these parameters. Recently, the observation and analysis ofintense quasi-continuous emission features in the 7.5−14.5nm spectral region of laser-produced plasmasof Pr have been reported.1

We obtained the EUV spectrum of laser-produced Zn plasma in the 7 − 14nm wavelength rangeshowing lines due to the resonant 3d−4f transition arrays of Zn5+ up to Zn9+ ions. We have calculatedthe resonance 3d − 4f transitions of Zn5+ up to Zn9+ ions with the Hartree-Fock method using theCowan codes (Fig. 1). The contribution of 3p63dn − 3p63dn−1(5f, 6f, 7f) transitions from Zn5+ up toZn9+ is very small in this region. Interestingly, the lines of 3p63dn − 3p53dn+1 transitions from Zn5+

up to Zn9+ are mixed and concentrated in 12− 16nm.

Plasma parameters were estimated by comparing experimental and simulated spectra, using theassumption of a normalized Boltzmann distribution among excited states and a steady-state collisional-radiative model (Fig. 2).2 The results further our understanding of radiation from highly charged ionsof medium- and high-Z elements.

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Figure 1 (left). The line distributions of 3d−4f transition arrays from Zn5+ to Zn9+. Figure 2 (right).Comparison between the experimental and simulated spectra.

*nwnu [email protected]. This work was supported by National Key Research and Development Pro-gram of China (2017YFA0402300); National Natural Science Foundation of China (11874051,11364037).

1M. G. Su, S. Q. Cao, et al. 2017, Physics of Plasmas, 24, 0433022D. Colombant, & G. F. Tonon 1973, J. Appl. Phys., 44, 3524

Posters 57

Collision-Induced Absorption By Oxygen And

Nitrogen Molecules

T. Karman,a I. E. Gordon,a A. van der Avoird,b and G. C. Groenenboom,b

aHarvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA

bTheoretical Chemistry, Institute for Molecules and Materials, Raboud University Nijmegen, theNetherlands

Collision-induced absorption is the phenomenon in which interactions between colliding moleculeslead to absorption of light, even for transitions that are forbidden for the isolated molecules. Collision-induced absorption contributes to the atmospheric heat balance and is important for the electronicexcitations of O2 that are used for remote sensing. Absorption by O2−O2 pairs has been put forwardas a biomarker to be observed in exoplanetary transit spectra. We present an ab initio study of theX3Σ−g → a1∆g and b1Σ+

g electronic transitions of O2, which are electric-dipole forbidden by both spinand spatial selection rules. We unambiguously identify the underlying absorption mechanism, which isshown to depend explicitly on the collision partner1 contrary to text-book knowledge. This explainsexperimentally observed qualitative differences between O2−O2 and O2−N2 collisions in the overallintensity, line shape, and vibrational dependence of the absorption spectrum.

1T. Karman, M. A. J. Koenis, A. Banerjee, D. H. Parker, I. E. Gordon, A. van der Avoird, W. J.van der Zande, and G. C. Groenenboom, 2018, Nature Chemistry, 10, 549

Posters 58

Update of the HITRAN Collision-Induced

Absorption Section

T. Karman,a I. E. Gordon,a et al.b

aHarvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA

bHITRAN Collaboration

Correct parameterization of the Collision-induced Absorption (CIA) phenomena is essential foraccurate modelling of the diverse planetary atmospheres. The HITRAN spectroscopic database pro-vides these parameters in a dedicated section. Here we significantly revise and extend the HITRANCIA data with respect to the original effort described in Richard et al.1 The extension concerns newcollisional pairs as well as wider spectral and temperature ranges for the existing pairs. Some of thedata were replaced with new superior results. The database now contains CIA for N2−N2, N2−H2,N2−H2O, N2−CH4, N2−O2, O2−O2, O2−CO2, CO2−CO2, H2−H2, H2−He, H2−CH4 , H2−H, H−He,CH4−CH4, CH4−CO2, CH4−He and CH4−Ar collision pairs. We continue to provide “Main” and“Supplementary” folders. The main folder contains recommended sets of collision-induced absorptionswhereas the supplementary folder contains two types of data. One type is the data alternative to thatin the main folder. This is especially characteristic for the O2−X complexes (see the correspondingsection for details). In these cases “altern” is added to the filenames. Another type of data in the“Supplementary” folder is when the data is provided however one has to be cautious as we expect un-certainties in presented parameters are likely to be large. A wish list to eliminate remaining deficienciesor lack of data from the astrophysics perspective is also presented.

1C. Richard, et al. 2012, JQSRT, 113, 1276

Posters 59

Detection of Non-thermal Electrons in LHD plasmas

via Fe-line Spectroscopy

T. Kawate,a M. Goto,b I. Murakami,b and T. Watanabeb,c

aInstitute of Space and Astronautical Science, Japan Aerospace Exploration Agency, 3-1-1 Yoshinodai,Chuo-ku, Sagamihara, Kanagawa 252-5210, Japan

bNational Institute for Fusion Science, National Institutes of Natural Sciences, Japan

cNational Astronomical Observatory of Japan, National Institutes of Natural Sciences, Japan

This research aims to derive the electron energy distribution function of high temperature plasmasin LHD by using soft x-ray lines. We focus on intensity ratios among the dielectronic satellite line(j) from Li-like Fe ions, resonance line (w) from He-like Fe ions and M1 transition line (z) of He-likeFe ions. These intensity ratios do not depend on the electron density or the ionization fraction, butthey depend on the electron temperature. Therefore, these intensity ratios are a good tool to estimateelectron energy distribution function.

We observed Fe+24 lines around 1.85 A emitted from the LHD plasmas by using the x-ray crystalspectrometer.1 The plasma was heated by electron cyclotron heating, and the soft x-ray Fe lines wereobserved without pellet injection since the vacuum vessel of LHD is made of stainless steel. At the sametime of capturing the x-ray line emission, we measured the spatial and temporal evolution of electrondensities and temperatures by the Thomson scattering method and the mm-wave interferometer. Basedon the measured temperature and densities, we model a soft x-ray line spectrum at each position andtime under the thermal equilibrium approximation by using CHIANTI v8,2,3 and compare betweenthe observed spectrum and the modelled spectrum integrated over the line of sight. As a result, theobserved intensity ratio between j and w is consistent with the modelled intensity ratio, and the typicaltemperature is evaluated as 4 keV. On the other hand, the observed intensity ratio between z andw shows 70% of the modelled intensity ratio, and the typical temperature is evaluated as 7 keV. Ifwe assume the electron energy distribution function consists of two Maxwellian distributions and thetemperature of one of the Maxwellian distributions is 10 keV, the population of 10-keV electrons isestimated as 4–8% of the entire electron population.

1S. Morita & M. Goto 2003, Rev. Sci. Instr., 4, 23752K. P. Dere et al. 1997, A&A Supp., 125, 1493P. R. Young et al. 2016, J. Phys. B, 49, 74009

Posters 60

High-lying 5 1Sigma+, 3 1Pi, 5 3Sigma+, and 4 3Pi

Electronic States of the KRb Diatomic Molecule

J. T. Kim,a Y. Lee,b, and B. Kimc

aDept. of Photonic Engineering, Chosun University, Korea

bDept. of Chemistry, Mokpo University, Korea

cDept. of Chemistry, KAIST, Korea

High resolution spectroscopy using a molecular beam provides dense and precise spectra. Thehigh-lying 5 1Sigma+, 3 1Pi, 5 3Sigma+, and 4 3Pi electronic states of the KRb diatomic moleculehave been investigated by mass-resolved resonance enhanced two-photon ionization in a cold molecularbeam. For the 3 1Pi state, the electronic term values (Te) and vibrational constants are determinedexperimentally. From a rotational contour analysis, the Ω symmetries of the upper electronic statesof the observed bands were assigned. For the the electronic states, vibrational numberings of theexperimentally observed levels are done. The fitted perturbation constants such as spin-orbit couplingmatrix element, rotational temperature, linewidth, Tv, and rotational constants have been determinedand used to model line profiles of the rotational spectra observed from RE2PI.

Posters 61

Absorption Cross-sections in HITRAN2016 and

Beyond: Extensive Update in the IR Region

R. V. Kochanov,a,b I. E. Gordon,a L. S. Rothman,a C. Hille, K. P. Shine,d and HITRANcontributors worldwide

aHarvard-Smithsonian Center for Astrophysics, Atomic and Molecular Physics Division, CambridgeMA, USA bTomsk State University, QUAMER, Tomsk, Russia cInternational Atomic Energy Agency

(IAEA), Vienna, Austria dUniversity of Reading, Dept. of Meteorology, Reading, UK

The computation of the cross-sections from line-by-line spectroscopic data remains the recom-mended approach for remote-sensing applications because it allows accounting for a broad range ofthermodynamic conditions. However, for many molecules, such data are still either unavailable, orincomplete. For such molecules, the spectroscopic databases often give the wavenumber-dependentabsorption cross-sections for various temperature and pressure sets.

In addition to the parametrized line-by-line spectroscopic data, the recent HITRAN-2016 1 edi-tion includes an extensive set of absorption cross-sections for about 330 molecules of various fields ofinterest: remote sensing, environment monitoring (in particular, biomass burning detection), climateapplications, industrial pollution tracking, instrument calibration, and more. The update increases theamount of molecules in the HITRAN database almost six-fold compared to HITRAN20122.

These cross-sections come from high-resolution, highly-accurate photometric laboratory observa-tions, predominantly from Fourier transform spectrometers. The data was carefully curated beforebeing added to HITRAN. An overview of the new cross-sectional entries of the database will be pre-sented as well as the means of accessing these data through HITRANonline3 and a powerful applicationprogramming interface (API) called HAPI4 will be discussed.

The HITRAN database is supported by NASA AURA and PDART program grants NNX14AI55Gand NNX16AG51G.

1I. E. Gordon, et al., J. Quant. Spectrosc. Radiat. Transf., 203, 3-69 (2017).2L. S. Rothman, I. E. Gordon, et al. ”The HITRAN 2012 molecular spectroscopic database,” JQSRT

113, 4-50 (2013).3C. Hill, I.E. Gordon, et al. ”HITRANonline: An online interface and the flexible representation of

spectroscopic data in the HITRAN database.” J. Quant. Spectrosc. Radiat. Transf., 177, 4–14 (2016).4R. V. Kochanov, et al., J. Quant. Spectrosc. Radiat. Transf., 177, 15–30 (2016).

Posters 62

Electron-CO Excitation and Ionization Cross

Sections for Plasma Modelling

A. Laricchiuta,a R. Celiberto,a,b L. D. Pietanza,a M. Capitelli,a and G. Colonnaa

aPLASMI Lab Bari CNR NANOTEC, Bari (Italy)

bDICATECh, Polytechnic of Bari, Bari (Italy)

The plasma activation of CO2 in different plasma regimes is nowadays attracting large interestin the scientific community, representing a promising new-concept technology for the conversion ofanthropogenic CO2 emissions. The non-equilibrium conditions met in plasmas could, in fact, selectivelypromote reactive channels leading to efficient dissociation and, in turn, to the formation of CO. Thedetailed description of the vibrational and electronic state kinetics within the state-to-state approachcan considerably contribute to the understanding of the collisional mechanisms that critically determinesthe conversion efficiency.1,2 In view of the construction of advanced state-to-state chemical scheme forCO2 plasmas, the CO vibrational and electronic kinetics have been recently reconsidered.3,4,5 The crosssections for the electron-impact-induced excitation and ionization processes have been estimated in theframework of simplified approaches. The similarity approach6 has been exploited for the derivationof vibrationally-resolved excitations (dissociative and non-dissociative) for the dipole-allowed transitionresponsible for the fourth positive system of CO, namely X1Σ+ → A1Π. The channel-specific ionizationprocesses from the ground and from the first metastable state of CO have been derived with the binary-encounter-dipole (BED) and -Bethe (BEB) models.7,8

1M. Capitelli, G. Colonna, G. D’Ammando & L.D. Pietanza 2017, Plasma Sources Sci. Technol., 26055009

2A. Bogaerts, W. Wang, A. Berthelot & V. Guerra 2016, Plasma Sources Sci. Technol., 25, 0550163L.D. Pietanza, G. Colonna & M. Capitelli 2017, Plasma Sources Sci. Technol., 26, 1250074L. D. Pietanza, G. Colonna & M. Capitelli, J. Plasma Phys. 2017, 83, 6 (2017)5L.D. Pietanza, G. Colonna, A. Laricchiuta and M. Capitelli 2018, Plasma Sources Sci. Technol., in

press6S. Adamson, V. Astapenko, M. Deminskii, A. Eletskii, B. Potapkin, L. Sukhanov, & A. Zaitsevskii

2007, Chem. Phys. Lett., 436, 3087W. Hwang, Y. K. Kim, & M. E. Rudd 1996, J. Chem. Physics, 104, 29568Y. K. Kim & M. E. Rudd, 1994, Phys. Rev. A, 50, 3954

Posters 63

Theoretical Study of KLL Dielectronic and Higher-

Order Recombination Processes of B-Like Ions

S. M. Lu, L. Y. Xie,a X. S. Cheng, D. H. Zhang, J. Jiang, Z. W. Wu, and C. Z. Dong


Investigation of dielectronic recombination (DR) is not only important for testing atomic structuretheory, but also significant for understanding plasma properties since DR strongly affects the chargestate balance and energy-level populations, as well as the radiative spectra.1 Many recent investigationshave focused on DR and higher-order electron-ion recombination, such as trielectronic recombination(TR) and quadruelectronic recombination (QR). TR and QR may contribute considerably to recom-bination2, based on measurements of these processes for Li- to O-like ions of Ar, Fe, and Kr at highelectron energy resolution in an EBIT. TR may even overwhelm the strength of DR for C-like Ar.2

Furthermore, the ratio TR/DR is around 0.7 for Si9+ ions.3

In this work, multielectronic K-L innershell resonant recombination processes are systematicallystudied for B-like isosequence ions with Z=14-50 by using the relativistic configuration interactionapproach. The level-to-level resonant energy, strength, and total cross sections are presented (Fig.1),and the contributions of higher-order processes to the total recombination are analyzed. Our calculatedratios of TR to DR are in good agreement with the EBIT measurement2 for B-like Ar and Fe ions (Fig.2). Strong configuration mixing of innershell excited states results in an irregular change of the ratiocurve at Z=22-25. For low-Z Si9+ ions, a large difference is found between our results and Baumann’s.3

We plan to test this in the future.

[email protected]. This work was supported by the National Key Research and DevelopmentProgram of China under Grant No. 2017YFA0402300, and the Natural Science Foundation of China(Grant Nos. 11564036, 11774292, U1530142, 11464042, 11874051) and the Fund of NWNU-LKQN-15-3.

1J. Dubau & S. Volonte 1980, Reports on Progress in Physics, 43, 1992C. Beilmann et al. 2013, Phys. Rev. A, 88, 0627063T. M. Baumann et al. 2014, Phys. Rev. A, 90, 052704

Posters 64

Fig. 1. The resonance strength of DR (black), TR(red), and QR(blue), and cross section (black line)convolved with a 6-eV-wide Gaussian line profile for the ground state 2p 2P1/2 of B-like ions. Fig. 2.The corresponding ratio TR/DR resonance strength.

Posters 65

Laboratory VUV Spectra of Heavy Element Ions:

Examples

A. Meftah,a,b S. Sabri,a S. Ait Mammar,a W.U L. Tchang-Brillet,b J.-F. Wyart,b,c

N. Champion,b C. Blaess,b and N. Spectord

aLaboratoire de Physique et Chimie Quantique, Universite Mouloud Mammeri, BP 17 RP,15000 Tizi-Ouzou, Algeria

bLERMA, Observatoire de Paris-Meudon, PSL Research University, CNRS UMR8112, SorbonneUniversite, F-92195 Meudon, France

cLaboratoire Aime Cotton, CNRS UMR9188, Univ Paris-Sud, ENS Cachan, Univ Paris-Saclay,batiment 505, F-91405 Orsay CEDEX, France

dFormerly from Soreq Nuclear Research Center, Yavne, Israel

Heavy elements such as lanthanides and actinides are involved in many applications. In astrophysics,they are present not only in stellar atmospheres but also in the ejected matter of two neutron star merg-ers. These elements have complex spectra therefore strongly contribute to opacities. The knowledge oftheir energy levels is a starting point for studying their radiative and collisional properties for modelinglaboratory and astrophysical plasmas. Experimental and theoretical studies of high-resolution VUVemission spectra from several heavy element ions are in progress in our collaboration team. Labora-tory spectra are produced using a vacuum spark source and the 10.7 m vacuum spectrograph of theMeudon Observatory. High-resolution spectra are recorded on either photographic plates for accuratewavelength measurements, or image plates for linear intensity measurements. Uncertainties between0.001 and 0.005 are currently obtained on wavelengths in the range of 300-2900 A. Analyses of spectraare carried out with the help of parametric calculations of atomic configurations using the Cowan codesincluding configuration interactions. Isoelectronic and isoionic regularities are of great help to unravelthese complex spectra. This leads to the experimental determination of energy levels, and to goodpredictions of unobserved energy levels, Land factors and transition probabilities. Examples of recentresults from some lanthanide ions (Eu IV) and actinide ions (U V and U VI) will be reported.

Posters 66

Investigation of the Expansion Dynamics of Silicon

Plasmas Generated by Double Nanosecond Laser

Pulses

Q. Min*, M. G. Su, D. X. Sun, S. Q. Cao, and C. Z. Dong*


A systematic investigation of the expansion dynamics of plasma plumes generated by two Q-switchedNd:YAG lasers at 1064 nm wavelength operating on a silicon target was undertaken for the inter-pulsedelay times of 0, 100, 200, and 400 ns using a technique involving fast-gated intensified charge-coupleddevice imaging.1

The ICCD images of the expanding plume at different acquisition delay times are given in Fig. 1for the different pulse schemes. The pulse energy for each DP scheme is fixed at 300 mJ. The inter-pulse delay time (δt) is defined as the time difference between the arrival of the two laser pulses. Theacquisition delay time (ta) is the time difference between the arrival of the second laser pulse and thetime that the ICCD begins to acquire data.

We can offer a brief explanation on the formation and evolution mechansim of the DP plasma forthe case when the inter-pulse delay time is more than 50 ns: (1) When Laser I first interacts withthe target surface, the generated plasma experiences free expansion in vacuum. (2) When Laser IIpulse arrives, the second plasma generated thereby expands in a rarefied high-temperature plasmaenvironment. The ambient plasma has no influence on the second plasma propagation during the initialta because the pressure of the second plasma is much higher than that of the ambient plasma pressure.(3) The second plasma expands rapidly until its driving pressure has decreased considerably. Then aninteraction boundary is formed between the second plasma and ambient plasma.

*mq [email protected]; [email protected]. This work was supported by National Key Researchand Development Program of China (2017YFA0402300); National Natural Science Foundation of China(11874051,11364037).

1Q. Min, M. G. Su, et al. 2018, Physics of Plasmas, 25, 073302

Posters 67

Fig. 1. Spatio-temporal Si emission images of plasma expansion for a single pulse with a pulse energyof (a) 300 and (b) 600 mJ, and for a double pulse with (δt) of (c) 0, (d) 100, (e) 200 and (f) 400 ns.The ICCD acquisition delay time (ta) is noted at the top of each image column.

Posters 68

Direct Two-Electron Ejection from F− by a Single

Photon

A. Muller,a A. Borovik Jr.,b, S. Bari,c T. Buhr,b K. Holste,b M. Martins,d

A. Perry-Saßmannshausen,b R. A. Phaneuf,e S. Reinwardt,d

S. Ricz,f K. Schubert,c and S. Schippersb

aInstitut fur Atom- und Molekulphysik, Justus-Liebig-Universitat Gießen, Germany

bI. Physikalisches Institut, Justus-Liebig-Universitat Gießen, Germany

cFS-SCS, DESY, Germany

dInstitut fur Experimentalphysik, Universitat Hamburg, Germany

eDepartment of Physics, University of Nevada, USA

f Institute for Nuclear Research, Hungarian Academy of Sciences, Hungary

Direct multiple ionization of atoms and atomic ions by a single photon is one of the most fundamentalmany-body processes. Different from inner-shell excitation with a subsequent cascade of Auger decays,direct photodouble ionization (PDI) is characterized by the absorption of a single photon by an atomand the immediate release of two electrons. This process can solely happen via electron correlation.1

Recently, we have investigated double and triple detachment of the F−(1s22s22p6) negative ion bya single photon in the photon energy range 660 to 1000 eV employing the unprecedented sensitivityof the photon-ion merged-beams setup PIPE 2 at the PETRA III synchrotron radiation source inHamburg, Germany. Our experimental data provide unambiguous evidence for the dominant role ofdirect photodouble detachment with a subsequent single-Auger process in the reaction channel leadingto F2+ product ions. In our comprehensive study,3 we have determined absolute cross sections for thedirect removal of a (1s+ 2p) pair of electrons from F by the absorption of a single photon over a widephoton-energy range reaching well beyond the cross-section maximum.

1T. Schneider, P. L. Chocian, & J.-M. Rost 2002, Phys. Rev. Lett., 89, 0730022S. Schippers et al. 2014, J. Phys. B, 47, 115602; A. Muller et al. 2017, Ap. J., 836, 1663A. Muller et al. 2018, Phys. Rev. Lett., 120, 133202

Posters 69

700 800 900 10000,00

0,05

0,10

0,15 normalized fine scan -1,2

normalized scan -1,2

absolute -1,2 with total error bars

smooth -1,1 fit scaled

h + F- F2+ + 3e-

Cro

ss s

ectio

n (

Mb

)

Photon energy ( eV )

Fig. 1. Measured cross section for triple photodetachment of F− 3. The full line is the contribution by1s ionization with subsequent decay via Auger cascades. The cross section on top of this contribution isdue to the simultaneous ejection of two electrons (1s+ 2p) by a single photon (i.e. direct photodoubledetachment) and a subsequent Auger process.

Posters 70

Recent Updates and Enhancements of NIST

Numerical Databases for Atomic and Plasma

Physics

K. Olsen, A. Kramida, G. Nave, J. Reader, Yu. Ralchenko

National Institute of Standards and Technology, Gaithersburg, MD, 20899, USA

The Physical Reference Data program 1 at the National Institute of Standards and Technology(NIST) supports roughly 20 numerical and bibliographic databases of importance for atomic and molec-ular physics. Here we report on recently updated numerical databases for atomic and plasma physicsincluding the NIST Atomic Spectra Database (ASD) which was recently upgraded to version 5.6.12, the NIST Atomic Spectra Bibliographic Databases /footnotehttps://www.nist.gov/pml/nist-atomic-spectra-bibliographic-database, the Spectrum of Th-Ar Hollow Cathode Lamp 3, and the ASD Interfacefor Laser Induced Breakdown Spectroscopy (LIBS)4. In addition, we report on use of more modern webdevelopment techniques including responsive web design, use of HTML5, JavaScript, Google Charts,and enhanced graphing capabilities.

1https://pml.nist.gov/data2https://pml.nist.gov/asd3https://pml.nist.gov/thar4https://pml.nist.gov/libs

Posters 71

Resonance Contribution to Electron-Impact

Excitation Rate Coefficients of S14+ Ions

C. Ren, Z. W. Wu*, J. Jiang, and C. Z. Dong*


Electron-impact excitation of positive ions is an important atomic process in high-temperature plas-mas; it can proceed through direct excitation (DE) channels or indirect channels involving autoionizingresonances that are termed as resonance excitation (RE).1,2 Due to its abundance in most astrophysicalplasmas, the structure and collision dynamics of sulfur have been widely studied over the last few years.The parametric studies on the atomic process of sulfur and its ions are not only beneficial to plasmadiagnosis, but also can provide effective data support for astrophysical and laboratory plasma modeling.

In the present work, electron-impact excitation rate coefficients of S14+ ions have been studiedby using a relativistic flexible atomic code (FAC) that can account systematically for configurationinteractions. Moreover, we also considered the resonance excitation contributions to the rate coefficients.

Fig. 1 shows the electron impact excitation rate coefficients of S14+ ions in the energy range of2.4-3.0 keV. The solid blue line represents the result of the direct excitation, while the solid red linedenotes the results with the resonance excitation included. The configurations 1s3l3l (l = s, p, d ) and1s3l4l′ (l′ = s, p, d, f ) correspond to the resonance excitation processes.

*[email protected]; [email protected]. This work has been supported by the NationalKey Research and Development Program of China (2017YFA0402300) and the National Natural ScienceFoundation of China under Grant Nos. 11874051, 11804280, 11864036. Z. W. Wu acknowledges thesupport of the Scientific Research Program of the Higher Education Institutions of Gansu Province,China (Grant No. 2018A-002).

1C. Z. Dong et al. 1998, Chin. Phys. Soc., 7, 42J. Jiang et al. 2008, Phys. Rev. A, 78, 022709

Posters 72

2.4 2.5 2.6 2.7 2.8 2.9 3.0

10

20

30

40

50

1s3l4l'

Rat

e co

effic

ient

s (10

-12 cm

3 s-1)

Energy(KeV)

DE DE+RE

1s3l3l

Figure 1. Synthesized electron-impact excitation rate coefficients of S14+ ions with both the DE andRE channels included.

Posters 73

Fine-Structure Excitation of Ne+ in Collision with

Atomic Hydrogen

Yier Wan,a P. C. Stancil,a P. Leiberman,b R. Buenker,b and D. R. Schultzc

aDepartment of Physics and Astronomy, Center for Simulational Physics, The University of Georgia,Athens, GA, USA

bFachbereich C-Mathematik und Naturwissenschaften, Bergische Universit’at Wuppertal, Wuppertal,Germany

cNorthern Arizona University, Flagstaff, Arizona, USA

The fine-structure line emission from NeII is observed in the IR (12.81 µm) and could serve asdiagnostics of x-ray irradiation. As the electron fraction decreases with height, collisions with atomichydrogen begin to play an important role. We present calculations of cross sections for fine-structureexcitation in collisions of Ne+(2P ) with atomic hydrogen. The results are based on accurate calculationsof NeH+ molecular potentials. We find that the excitation cross sections are dominated by resonancesat energies below 1000 cm−1. Quenching rate coefficients are given at temperatures (10-2,000 K) ofastronomical interest and compared with electron impact rate.

Posters 74

Energy Levels and Static Polarizabilities of He and

Be Atoms

X. Wang, J. Jiang*, L. Y. Xie, Z. W. Wu, D. H. Zhang, and C. Z. Dong*


Improvements in the theory and frequency metrology of few-electron systems such as the He atomhave increasingly pushed the precise determination of fundamental constants such as fine structureconstant α, accurate tests of QED, etc. Very recently, the relativistic configuration interaction pluscore polarization (RCICP) method using S-spinors and L-spinors to deal with divalent atoms has beendeveloped. Energy levels, matrix elements, static polarizabilities of the He and Be atoms were calculatedsystematically.

Table 1 lists the energy levels of the He and Be atoms, which were calculated by the presentRCICP method and Hylleraas coordinates(HYL) basis.1 Table 2 lists the static dipole polarizabilitiesof the He and Be atoms. All RCICP results were compared with HYL,2,3 many-body perturationtheory(MBPT),4 the experimental value,5 and the relativistic coupled cluster (CC) method.6

Table 1: Comparison of the energy levels (in a.u.) of He and Be atoms.

He Be

State RCICP HYL[1] State RCICP NIST

1s2 1S0 -2.903 818 606 -2.903 724 377 034 119 597(15) 2s2 1S0 -1.011 850 520 -1.011 850 451s2s 3S1 -2.175 344 523 -2.175 229 378 236 791 3037(13) 2s3s 3S1 -0.774 566 635 -0.774 552 2501s2p 3P1 -2.133 271 678 -2.133 164 190 779 10(5) 2s2p 3P1 -0.907 591 122 -0.911 707 1001s2p 1P1 -2.123 948 235 -2.123 843 086 498 08(1) 2s2p 1P1 -0.815 872 445 -0.817 908 45

Table 2: Comparison of the static dipole polarizabilities (in a.u.) of Heand Be atoms.

He Be

Method 1s2 1S0 1s2s1S0 1s2s3S1 1s3s3S1 Method 2s2 1S0

RCICP 1.383056 800.197361 315.543808 7929.631083 RCICP 37.55HYL[2, 3] 1.383191(2) 800.31633(7) 315.63147(1) 7937.58(1) MBPT[4] 37.76Expt.[5] 1.383759(13) CC[6] 37.29

*[email protected]; [email protected]. This work was supported by National Key Researchand Development Program of China (2017YFA0402300) and National Natural Science Foundation ofChina (Grant No. 11774292, 11564036, 11874051).

1G. Drake et al. 1994, Chem. Phys. Lett., 229, 4862Z. C. Yan et al. 2000, Phys. Rev. A, 62, 0525023K. Pachucki et al. 2000, Phys. Rev. A, 63, 0125044S. G. Porsev et al. 2006, JETP, 102, 1955J. W. Schmidt et al. 2007, Phys. Rev. Lett., 98, 2545046D. Tunega et al. 1997, Chem. Phys. Lett., 269, 435

Posters 75

Precise Line-Shape Study of Oxygen B-band

Transitions

S. Wojtewicz,a,b K. Bielska,a J. Domys lawska,a M. S lowinski,a

A. Cygan,a R. Ciury lo,a and D. Lisaka

aInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University,Grudziadzka 5, 87-100 Torun, Poland

bPhysics Department of Politecnico di Milano and IFN-CNR, Via Gaetano Previati 1/C, Lecco 23900,Italy

The A band observed at 762 nm is commonly used in an oxygen remote sensing of the Earth’satmosphere. Many recent investigations show that simultaneous measurements of the A and B bandslead to significantly more accurate results in various applications such as determination of pressure andtemperature profiles of atmosphere, monitoring of vegetation status or determination of cloud coverage.However, until recently the use of the B band located at 689 nm has been less common mainly becauseof much lower intensity compared to the A band and the lack of the accurate laboratory data.

We used an optical frequency comb (OFC) assisted, Pound-Drever-Hall (PDH) locked, frequencystabilized cavity ring-down spectrometer (FS-CRDS) to determine line positions, intensities as well asline-shape parameters for nearly 50 O2 B-band lines.1 These self-perturbed transitions were sufficientlywell described with a relatively simple speed-dependent Voigt profile (SDVP) using a quadratic approx-imation of the speed dependent effects. We obtained line positions with uncertainties of even 150 kHzand line intensities characterized by sub-percent uncertainties.

The performance of the recently upgraded spectrometer allowed us to record spectra characterizedby QF (quality of the fit) factor of a single scan as high as 40000. This made possible investigation ofsubtle line-shape effects even in a low pressure range. We show that with increased experimental signal-to-noise ratio Dicke narrowing and the speed dependent effects need to be included simultaneouslyin the line-shape analysis. Moreover, our spectrometer provides sensitivity high enough to detect notrecorded previously T5 S6 quadrupole transition having intensity of about 1.4× 10−30 cm/molec.

1J. Domys lawska, S. Wojtewicz, P. Mas lowski, A. Cygan, K. Bielska, R. S. Trawinski, R. Ciury lo, &D. Lisak 2016, JQSRT, 169, 111

Posters 76

Investigation of EUV Spectra of Laser-Produced Cr

Plasmas

L. Wu, M. G. Su*, Q. Min, S. Q. Cao, D. X. Sun, and C. Z. Dong*


Spectral data of laser-produced plasmas (LPPs) of middle- and high-Z elements are of great im-portance for diagnostic studies of fusion plasmas, astrophysical, and laboratory plasmas, as well as forinterpretation of spectral structures, conversion efficiencies, and radiative transport in plasmas.1,2 Inthis work, EUV spectra of laser-produced Cr plasma in the 6.5− 15 nm wavelength range were studiedexperimentally and theoretically, where the 3p→ 4d, 5d and 3p→ 4s transitions dominate the observedemission. The experiment was performed using a Q-switched Nd:YAG laser with 10 ns FWHM pulsedurations at a wavelength of 1064 nm. The peak power density was 2.0 × 1011W/cm2. Theoreticalvalues for wavelengths and weighted radiation probabilities for 3p → 4d, 5d and 3p → 4s transitionswere calculated using the Hartree-Fock method by Cowan codes and the flexible atomic code (FAC),respectively. Fig.1 shows the comparisons between the experimental and simulated spectra. A simu-lated spectrum with Te = 28.2 eV and Ne = 6.4 × 1020cm−3 is plotted to illustrate spectral features,the dominant fractional contributions arising from Cr5+-Cr10+ are 2.8%, 22.8%, 40%, 25.6%, 5.3% and3.5% We found good agreement between the experimental and simulated spectra, especially in relationto the positions and intensities of intense lines from the dominant ions.

0.0

0.3

0.6

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7.5 9.0 10.5 12.0 13.5 15.0

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nts

(a) Experiment

(b) Cowan calculation

(c) FAC calculation

Inte

nsity

(arb

. uni

ts)

Wavelength (nm)

5 6 7 8 9 100.0

0.1

0.2

0.3

0.4

Ion

frac

tion

Ionzation Z

Figure 1. Comparison between measured and simulated spectra: (a) experimental spectrum, (b) sim-ulated spectrum based on the results of the Cowan calculation, and (c) simulated spectrum based onthe results of the FAC calculation.

*nwnu [email protected]; [email protected]. This work was supported by National Key Researchand Development Program of China(2017YFA0402300); National Natural Science Foundation of China(11874051,11364037).

1M. J. May, K. B. Fournier, et al. 2003, Phys. Rev. E, 68, 0364022H. Pepin, B. Grek, F. Rheault, & D. J. Nagel 1977, J. Appl. Phys., 48, 3312

Posters 77

Effect of Breit Interaction on Linear Polarization of

Radiation Lines following Electron-Impact

Excitation of Boron Isoelectronic Sequence

Z. W. Wu*, C. Ren, J. Jiang, L. Y. Xie, D. H. Zhang, Q. H. Yuan, and C. Z. Dong*


Recently, Jorg et al. [1] measured the linear polarization of x-rays produced following dielectronicrecombination of Xe49+ ions, and found that the Breit interaction has no effect on it. In order toexplore the effects of the Breit interaction on the same x-ray lines but formed from the electron-impactexcitation (EIE) process, the linear polarization of the 2p → 1s and 2p → 2s emission lines of Ca15+,Xe49+ and W69+ ions are investigated by using a fully relativistic distorted-wave program REIE06. Inthe present work, we found that the Breit interaction makes the emission lines corresponding to the2p→ 2s transition depolarized, while it makes the ones to the 2p→ 1s transition more polarized. Thesecharacteristics are different from the results obtained by Jorg et al.1 Admittedly, such a difference iscaused by different population mechanisms of the excited states, as discussed in Wu et al.2

As seen clearly from Fig. 1, the effect of the Breit interaction on the wavefunctions of target ionshardly influences the degrees of linear polarization for all of the situations. That is, the contribution ofthe Breit interaction to the degrees of linear polarization comes dominantly from the effect of the Breitinteraction on the EIE matrix elements.

0.12

0.16

0.20

0.24

0.12

0.24

0.36

0.48

1 2 3 4 5 60.00

0.21

0.42

0.63

0.84

Ca15+

N+N B+N B+B

Polariz

ation

Xe49+

N+N B+N B+B

Energy (threshold units)

W69+

N+N B+N B+B

Fig. 1. The degree of linear polarization of the transition line 2p→ 1s for highly charged B-like Ca15+,Xe49+ and W69+ ions. N+N: both the target wave functions and impact matrix elements are calculatedwithout the Breit interaction included; B+N: the former are calculated with an inclusion of the Breitinteraction while the latter without the Breit interaction; B+B: both of them are calculated with theBreit interaction included.

*[email protected]; [email protected] work has been supported by the NationalKey Research and Development Program of China (2017YFA0402300) and the National Natural ScienceFoundation of China under Grant Nos. 11804280, 11874051, 11864036. Z. W. Wu acknowledges thesupport of the Scientific Research Program of the Higher Education Institutions of Gansu Province,China (Grant No. 2018A-002).

1H. Jorg et al. 2015, Phys. Rev. A, 91, 0427052Z. W. Wu et al. 2012, Phys. Rev. A, 86, 022712

Posters 78

Theoretical Investigation of Electron-Ion

Recombination Processes of Li-like Tungsten Ions

L. Y. Xie,*a L. J. Dou,b Z. K. Huang,b W. Q. Wen,b D. H. Zhang,a

C. Z. Dong,a and X. W. Ma*b

aKey Laboratory of Atomic and Molecular Physics and Functional Materials of Gansu Province,College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou, 730070, China

bInstitute of Modern Physics, Chinese Academy of Sciences, Lanzhou, 730000, China

Dielectronic recombination (DR) and radiative recombination (RR) spectra of highly charged Tung-sten ions are important for modeling and diagnosing magnetic fusion plasmas.1,2 We studied the∆n = 0 DR process of Li-like W71+(2s) ions using the flexible atomic code (FAC) based on therelativistic configuration interaction (RCI) method with Breit and QED corrections.3 The detailedresonance energies and strengths were calculated systematically for the dominant doubly excited states(2p1/2nlj)J(n = 19 ∼ 29) and (2p3/2n

′lj)J (n′ = 7 ∼ 29, l = 0 ∼ 15) of Be-like W70+ ions. The contri-butions from the higher Rydberg states with n = 30 ∼ ncut(ncut = 116) are obtained by extrapolationbased on the quantum defect theory (QDT)4. We compared parts of the lower lying energy levels and E1transition rates in Be-like W70+ ions with the relativistic many-body perturbation theory (RMBPT)5

results and NIST database. Good agreement is obtained. The (DR+RR) spectra, covering the center-of-mass energy range 0-1700 eV, are presented by taking into account the electron beam temperatureat the experimental cooler storage ring (CSRe). It is found that the DR resonances associated with2s1/2 → 2p1/2 and 2s1/2 → 2p3/2 transitions are not blended for the whole ∆n = 0 collision energyrange. Finally the plasma rate coefficients are deduced from the calculated recombination spectra inthe temperature range from 5.0× 103 to 1.0× 108 K. Compared with the AUTOSTRUCTURE results,good agreement is obtained except for the DR rates at the low electron temperature (Te < 5.0×105K),which were mainly attributed to the difference of the first resonance group 2p1/219l. The present resultswill guide the DR experiment of Tungsten ions at the CSRe and for ITER.

*[email protected]; [email protected]. This work is partly supported by the National Key R&DProgram of China No. 2017YFA0402300, the National Natural Science Foundation of China Nos.11320101003, 11611530684, U153014,11464042,11874051, the Strategic Priority Research Program ofthe Chinese Academy of Sciences No. XDB21030300, and the Young Teachers Scientific ResearchAbility Promotion Plan No.NWNU-LKQN-15-3.

1S. P. Preval, N. R. Badnell, & M. G. O’Mullane 2016, Phys. Rev. A, 93, 0427032M. Trzhaskovskaya & V. Nikulin 2014, ADNDT, 100, 986, ISSN 0092-640X.3M. F. Gu 2008, Can. J. of Phys., 86, 6754Y. Hahn (Academic Press, 1985), vol. 21 of Advances in At and Mol Physics, pp. 123-196.5U. I. Safronova & A. S. Safronova 2010, J. Phys. B, 43, 074026

Posters 79

0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.00

1

2

3

4

5

6

7

8

9

(2p1/219lj)J

Rate

coe

ffici

ent (

10-9cm

3 s-1)

Resonance energy (eV)

s1/2 p1/2 l3/2 l5/2 l7/2 j>7/2

0

5

10

15

20

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30

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nanc

e str

engt

h (1

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230 235 270 275 280 285 290 2950.0

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1.5

2.0s1/2 p1/2 p3/2 (2p3/27lj)J

l1/2 l3/2 l5/2 l7/2 l9/2 j>9/2

Rate

coe

ffici

ent(1

0-9cm

3 s-1)

Resonance energy (eV)

0.0

0.5

1.0

1.5

2.0

2.5

Reso

nanc

e str

engt

h (1

0-18 cm

2 eV)

Fig. 1. The calculated electron-ion recombination rate coefficients (DR+RR) (black line) of W 71+

ions for the first resonance group (2p1/219lj)J of 2s1/2 → 2p1/2 transition. Fig. 2. Same but for thefirst resonance group (2p3/27lj)J of 2s1/2 → 2p3/2 transition. The red dashed lines indicate the RRbackground.

Posters 80

Long-Range Dispersion Interactions Between

Alkali-Metal And Rare-Gas Atoms

D. H. Zhang*, J. N. Zhao, J. Jiang, Z. W. Wu, L. Jiang, L. Y. Xie and C. Z. Dong

College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, P. R.China.

The long-range interaction potential plays an important role in the field of cold atoms, such asBose-Einstein condensations (BECs), ultra-cold collisions, and ultra-cold photo-association spectra.For example, the stability and structure of BEC depends on the sign (and magnitude) of the scatteringlength, and the scattering length depends on the precise values of the dispersion coefficients.

In this work, the long-range dispersion coefficients between low-lying states of Alkali-metal and theground state of rare gas atoms are calculating in JJ coupling, in which the spin-orbital interactionsare included. The energy levels and transition arrays that contribute to the dispersion parameters arecomputed by using the relativistic semi-empirical-core-potential method (RCICP).1

The dispersion coefficients between the ground state of Ar and low-lying states of Na are listedin Table 1 and compared with other available values2,3. For the Na (npj)-Ar (1S0) system, there arethree states in the JJ coupling scheme, which are Na (np1/2)-Ar (1S0) Ω = 1/2 state (Ω represent thetotal magnetic number), Na (np3/2)- Ar(1S0) Ω = 3/2 and Ω = 1/2 states. For the Na (ndj)-Ar (1S0)system, there are five states in the JJ coupling scheme, that is, Na (np3/2)-Ar (1S0) Ω = 3/2, Ω =1/2 states, and Na (np5/2)-Ar (1S0) Ω = 5/2, Ω = 3/2 and Ω = 1/2 states. Either it is for npj orndj , the state with the largest total magnetic quantum number agrees always well, between the presentrelativistic results2 and non-relativistic results.3

∗[email protected] This work has been supported by the National Key Research and Devel-opment Program of China (2017YFA0402300) and The National Science Foundation of China underGrant Nos. 11864036, 11874051, 11774292, 11564036, 11804280.

Table 1: The dispersion coefficients (in a.u.) between the ground stateof Ar and low-lying states of Na. a(b)=a× b10.

C6 C8 C10

state Ω present others present others present others3s1/2 1/2 196.79 196.82 11519 115302 8.7722(5) 8.769(5)2

188.73 10580 7.775(5)3p1/2 1/2 429.05 43762 6.9353(6)3p3/2 3/2 341.1 341.32 7033.1 70322 4.3653(5) 4.354(5)2

1/2 518.53 87992 1.3511(7)4s1/2 1/2 1385.4 13862 3.9220(5) 3.936(5)2 1.3152(8) 1.317(8)2

13683 3.868(5)3 1.291(8)3

3d3/2 3/2 1078.7 43810 −4.1279(7)1/2 1626.2 7.7822(5) 2.2286(8)

3d5/2 5/2 960.62 961.52 −59719 −596902 −1.3418(6) −1.341(6)2

3/2 1428.6 3.5435(5) 3.6270(7)1/2 1662.5 9.3835(5) 4.4819(8)

1J. Jiang, J. Mitroy, Y. Cheng, and M. W. J. Bromley 2016, Phys. Rev. A 94, 0625142J. Mitroy and J.-Y. Zhang 2007, Phys. Rev. A, 76, 0327063T. R. Proctor and W. C. Stwalley 1977, J. Chem. Phys. 66, 2063

Author Index

Abdoulanziz, A., 16Ait Mammar, S., 65Argentin, C., 16Ayilaran, A., 27, 41

Ba, Y. A., 42Babb, J. F., 48Balakrishnan, N., 39Ballance, C., 2Bari, S., 68Belmonte, M. T., 25, 26Bernitt, S., 36Bielska, K., 75Blaess, C., 65Borovik, A., 49, 68Brage, T., 32Brandau, C., 49Bray, I., 8, 35, 38Brickhouse, N. S., 43, 53Bromley, S. J., 50Buckman, S. J., 19Buechele, S. W., 54Buenker, R., 73Buhr, T., 68Bulbul, E., 3

Cao, S. Q., 51, 56, 66, 76Capitelli, M., 62Celiberto, R., 62Chakrabarti, K., 16Champion, N., 65Chang, W.S., 19Cheng, X. S., 63Cho, H., 19Choi, H.C., 19Ciury, R., 75Clear, C. P., 25, 26Colgan, J., 38Colonna, G., 27, 62

Concepcion Mairey, F., 25,26

Conroy, C., 4Conway, E. K., 44Cooper, B., 41Crespo Lopez-Urrutia, J. R.,

36Cumbee, R. S., 28, 39Cummings, S. J., 39Cygan, A., 75

DeLuca, E., 33Ding, X., 5Djuissi, E., 16Dobrodey, S., 36Domys lawaska, J., 75Dong, C. Z., 5, 51, 56, 63,

66, 71, 74, 76–78,80

Dou, L. J., 78Drake, G. W. F., 30Dreiling, J. M., 54Dubernet, M. L., 42Dzarasova, A., 41Dohring, B. M., 49

Ebinger, B., 49Ekman, J., 32Emoto, M., 52Epee Epee, M. D., 16Ezzeddine, E., 7

Ferland, G. J., 39Fontes, C. J., 38Forrey, R. C., 39Foster, A. R., 43, 53, 54Fursa, D. V., 8, 35, 38

Gall, A. C., 54Gatti, D., 37

Golub, L., 33Gordon, I. E., 44, 55, 57, 58,

61Goto, M., 59Gotti, R., 37Green, D. G., 31Gribakin, G. F., 31Groenenboom, G. C., 57Gu, L., 36Gupta, D, 19

Hakel, P., 38Hanicinec, M., 41Hargreaves, R. J., 44, 55Harriss, J. E., 50He, S. Q., 51, 56Heinola, H., 10Higashiguchi, T., 9Hill, C., 10, 44, 61Holste, K., 68Huang, Z. K., 78

Iacob, F., 16Imazu, S., 52

Jonsson, P., 32Jozwiak, H., 37Jankowski, P., 37Jiang, J., 63, 71, 74, 77, 80Jiang, L., 80Judge, P., 33

Kaastra, J., 36Karman, T., 57, 58Karwasz, G. P., 19Kato, D., 5, 14, 52Kato, M., 52Kawate, T. , 59Kilcrease, D. P., 38Kim, B., 60

81

Kim, D.-C., 19Kim, J. T., 60Kim, Y., 19Kim, Y. R., 19Kim, Y. W., 19Kochanov, R. V., 44, 55, 61Koike, F., 5Kokoouline, V., 19Kos, D., 18Kramida, A., 11, 46, 70

Lamperti, M., 37Laporta, V., 16Laricchiuta, A., 27, 45, 62Lee, Y., 60Leiberman, P., 73Leiding, J., 38Lestinsky, M., 49Lisak, D., 75Liu, A.-W., 12Loch, S. D., 2Lu, H. D., 51, 56

Ma, P. P., 51Ma, X. W., 78Madsen, C., 33Maguire, O., 18Manalo, J., 30Marangoni, M., 37Marler, J. P., 50Martins, M., 68McLaughlin, B. M., 48Meftah, A., 65Mezei, J. Zs., 16Min, Q., 51, 56, 76Min, W., 66Mohr, S., 41Molkentin, T., 49Moreau, N., 42Motapon, O., 16Moulane, Y., 16Murakami, I., 5, 14, 52, 59Muller, A., 49, 68

Nagle, J., 17Nakamura, N., 5Nakamura, Y., 19Nave, G., 70

Niyonzima, S., 16

O’Sullivan, G., 18Olsen, K., 46, 70

Papoulia, A., 32Patkowski, K., 37Perry-Saßmannshausen, A.,

68Petkowski, J. J., 20Phaneuf, R. A., 68Pickering, J. C., 25, 26Pietanza, L. D., 27, 62Pitchford, L. C., 15Pop, N., 16Pyuna, H., 19

Ralchenko, Yu., 46, 54, 70Reader, J., 46, 70Reinwardt, S., 68Ren, C., 71, 77Ricz, S., 68Rothman, L. S., 44, 55, 61

Sabri, M., 65Sakaue, H. A., 5Saloman, E. B, 46Samra, J., 33Sasaki, A., 14Savage, J. S., 8, 35, 38Savukov, I. M., 34Scarlett, L. H., 8, 35Schippers, S., 49, 68Schneider, I. F., 16Schubert, K., 68Schultz, D. R., 73Schwerdtfeger, P., 17Seager, S., 20Shah, C., 36Shine, K. P., 61Silwal, R., 54Smith, R. K., 43, 53Sokell, E., 18Song, M.-Y., 19Sosolik, C. E., 50Sousa-Silva, C., 20Spector N., 65Stancil, P. C., 39, 73Steinbruge, R., 36

Su, M. G., 51, 56, 66, 76Sullivan, J. P., 19Sun, D. X., 51, 56, 66, 76Sun, R., 5Swann, A. R., 31Szalewicz, K., 37S lowinski, M., 75

Takacs, E., 54Tan, Y., 44, 55Tapley, J. K., 8, 35Tchang-Brillet, W.-U L., 65Tennyson, J., 16, 19, 27, 41Thibault, F., 37Timmermans, E., 38Tudorovskaya, M., 41

Valenti, J. A., 21van der Avoird, A., 57Versolato, O. O., 22

Wojtewicz, S., 37, 75Walker, K. M., 39Wan, Y., 73Wang, K. P., 51Wang, X., 74Watanabe, T., 59Wcis lo, P., 37Wen, W. Q., 78Wu, L., 51, 56, 76Wu, Y., 23Wu, Z. W., 63, 71, 74, 77, 80Wyart, J.-F., 65

Xie, L. Y., 63, 74, 77, 78, 80

Yang, B. H., 39Yang, J., 5Yoon, J.-S., 19Yoshida, M., 52Yuan, Q. H., 77

Zammit, M. C., 8, 35, 38Zhang, D. H., 63, 74, 77, 78,

80Zhang, F., 5Zhang, Z. E., 39Zhao, J. N., 80Zwolf, C. M., 42

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Eleventh International Conference on Atomic and Molecular ... · Eleventh International Conference on Atomic and Molecular Data and Their Applications (ICAMDATA 2018) DAY 1, Sunday,