Unconstrained Variational Determination of the Kohn-Sham Potential

Details Unconstrained Variational Determination of the Kohn-Sham Potential Unconstrained Variational Determination of the Kohn-Sham Potential

2006-03-10

arxiv.org/abs/cond-mat/0603277v3

Physics

Condensed Matter

Other Condensed Matter

Scientific paper

Density Functional Theory's Kohn-Sham (KS) potential emerges as the
minimizing effective potential in an unconstrained variational scheme that does
not involve fixing the unknown single-electron density. The physical content
behind the virtual KS system, that of a non-interacting electronic system
representing optimally the interacting one, is brought to light.

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