On the Kohn-Sham equations with periodic background potentials

2003/03/25 by E. Prodan, P. Nordlander
Physics and Astronomy · #cond-mat.mtrl-sci #cond-mat.stat-mech

paper · pdf

published as J. Stat. Phys. 111, 967-992 (2003)

arxiv created 2003/03/25 · arxiv updated 2009/11/30

Abstract

We study the question of existence and uniqueness for the finite temperature Kohn-Sham equations. For finite volumes, a unique soluion is shown to exists if the effective potential satisfies a set of general conditions and the coupling constant is smaller than a certain value. For periodic background potentials, this value is proven to be volume independent. In this case, the finite volume solutions are shown to converge as the thermodynamic limit is considered. The local density approximation is shown to satisfy the general conditions mentioned above.

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