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The top documents tagged [diffuse functions]
Education
Density Functional Theory
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March 1, 2009Dr. Muhammed Al-Mulhem1 ICS 415 Computer Graphics OpenGL Dr. Muhammed Al-Mulhem March 1, 2009 Dr. Muhammed Al-Mulhem March 1, 2009
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ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University)
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Quantum Calculations B. Barbiellini
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Thematics seminar April 21,2005
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PBC-Guide
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ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University)
[email protected]
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Calculating Molecular Binding Energies from Chemical Bonds to van der Waals Interactions Thom H. Dunning, Jr. Joint Institute for Computational Sciences
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ADF2007.01 Applications (I) Prof. Mauro Stener (Trieste University)
[email protected]
33 views
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COMPOSITE METHODS. Based on additivity (independence) of –Basis set improvements –Level of theory improvements High level = H [e.g., CCSD(T)] Low level
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