Frozen core FHI-aims data
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资源简介:
Raw FHI-aims output files supporting "Accurate Frozen Core Approximation for All-Electron Density-Functional Theory" by Yu, Moussa, and Blum.
创建时间:
2021-03-13

Raw FHI-aims output files supporting "Accurate Frozen Core Approximation for All-Electron Density-Functional Theory" by Yu, Moussa, and Blum.