Local‐scaling density‐functional theory for excited states
نویسندگان
چکیده
منابع مشابه
Quantal density functional theory of excited states.
We explain by quantal density functional theory the physics of mapping from any bound nondegenerate excited state of Schrödinger theory to an S system of noninteracting fermions with equivalent density and energy. The S system may be in a ground or excited state. In either case, the highest occupied eigenvalue is the negative of the ionization potential. We demonstrate this physics with example...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1991
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.461753