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On the Kohn-Sham equations with periodic background potentials

Domenii publicaţii > Fizica + Tipuri publicaţii > Articol în revistã ştiinţificã

Autori: E. Prodan and P. Nordlander

Editorial: J. Stat. Phys., 111, p.967-992, 2003.


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.

Cuvinte cheie: DFT, periodic potentials, thermodynamic limit