Generalised adiabatic connection in ensemble density-functional theory for excited states: example of the H2 molecule
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چکیده
منابع مشابه
Study of adiabatic connection in ground - state density functional theory
Submitted for the MAR16 Meeting of The American Physical Society Study of adiabatic connection in ground-state density functional theory MANOJ HARBOLA, RABEET CHAUHAN, Indian Inst of Tech-Kanpur, RABEET S. CHAUHAN COLLABORATION — By employing modified [1] variational form of Le-Sech wavefunctions [2] for two-electron systems, accurate wavefunctions for He-like atoms corresponding to their groun...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2013
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268976.2013.858191