DMol, a standard tool for density functional calculations: Review and advances
作者： B. Delley
DOI: 10.1016/S1380-7323(05)80037-8
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摘要: … This is also a first application using periodic boundary conditions. The application to carbonyl complexes is a case study of the effect of some recent gradient dependent density …
sci-hub.se 参考文章(123)
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