Unconstrained Variational Determination of the Kohn-Sham Potential
作者： N. I. Gidopoulos
DOI:
关键词: Physics 、 Scheme (mathematics) 、 Quantum mechanics 、 Density functional theory 、 Kohn–Sham equations 、 Content (measure theory) 、 Classical mechanics 、 Electronic systems
摘要: Density Functional Theory's Kohn-Sham (KS) potential emerges as the minimizing effective in an unconstrained variational scheme that does not involve fixing unknown single-electron density. The physical content behind virtual KS system, of a non-interacting electronic system representing optimally interacting one, is brought to light.
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