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arxiv: cond-mat/0603277 · v3 · submitted 2006-03-10 · ❄️ cond-mat.other

Unconstrained Variational Determination of the Kohn-Sham Potential

classification ❄️ cond-mat.other
keywords potentialdensitykohn-shamsystemunconstrainedvariationalbehindbrought
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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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