Density functional theory and free energy of inhomogeneous electron gas

Details Density functional theory and free energy of inhomogeneous electron gas Density functional theory and free energy of inhomogeneous electron gas

2010-04-06

arxiv.org/abs/1004.0885v1

Physics

Condensed Matter

Statistical Mechanics

13 pages, no figures

Scientific paper

It is shown that in adiabatic approximation for nuclei the many-component Coulomb system cannot be described on the basis of the grand canonical ensemble. Using the variational Bogolyubov's procedure for the free energy, the Hohenberg-Kohn theorem is proved in the canonical ensemble for inhomogeneous electron gas at finite temperature. The principal difference between consideration in the framework of quantum statistics in the canonical ensemble and quantum-mechanical consideration of a finite number of particles in infinite volume is established. The problem of universality of the density functional for describing the inhomogeneous electron density in a disordered nuclei field is considered.

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