Expectation values in density-functional theory, and kinetic contribution to the exchange-correlation energy
作者： Andreas Görling , Mel Levy , John P. Perdew
关键词: Density functional theory 、 Exchange interaction 、 Expression (computer science) 、 Wave function 、 Statistical physics 、 Electronic correlation 、 Physics 、 Operator (physics) 、 Kinetic energy 、 Simple (abstract algebra)
摘要: Bauer's expression for the difference between expectation values of an arbitrary quantum-mechanical operator with physical interacting ground-state wave function and its corresponding noninteracting Kohn-Sham is obtained here by a very simple general derivation via constrained-search formulation density-functional theory. Our proof does not require υ-representability or coupling-constant integration
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