The coupling constant averaged exchange–correlation energy density
نویسندگان
چکیده
منابع مشابه
Exchange-correlation energy functional constructed from orbital-dependent coupling-constant-averaged pair correlation functions
An exchange-correlation energy functional Exc and the resultant exchangecorrelation potential vxc(r) in density-functional theory are proposed using orbital-dependent coupling-constant-averaged pair correlation functions, ḡ ′ (r, r) for electronic structure calculations of atoms, molecules, and solids. These orbital-dependent ḡ ′ (r, r) fulfill the symmetric property, the Pauli principle and th...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2015
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268976.2015.1096424