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The top documents tagged [hybrid functionals]
Science
Pw user guide
322 views
Technology
“Quantum Theory Calculations of Supported and Unsupported Transition-Metal Clusters”. Dra. Yohanna Seminovski Pérez – IQSC/USP
37 views
Documents
PWSCF User Guide
84 views
Documents
First-principles DFT+U study of radiation damage in UO2: f electron correlations and the local energy minima issue
51 views
Documents
First Principles Calculations of Complex Oxide Perovskites David-Alexander Robinson Sch., Theoretical Physics, The University of Dublin, Trinity College
215 views
Documents
RMP_v080_p0003
214 views
Documents
GGAs: A History
34 views