Exact relation in the density functional theory
Joint Institute for High Temperatures, Russian Academy of Sciences - Izhorskaya St., 13, Bd. 2, 125412 Moscow, Russia
2 Eindhoven University of Technology - P.O. Box 513, MB 5600 Eindhoven, The Netherlands, EU
Accepted: 23 November 2010
Based on the Hohenberg-Kohn theorem, an exact integral expression is derived, which relates the nonuniform density to the inverse response function in the equilibrium system of interacting electrons. This relation is a necessary condition for the existence of the universal density functional in the density functional theory. The possibility of developing a regular procedure for calculating the density functional for the free energy or ground-state energy is shown.
PACS: 71.10.Ca – Electron gas, Fermi gas / 31.15.ec – Hohenberg-Kohn theorem and formal mathematical properties, completeness theorems / 52.25.Kn – Thermodynamics of plasmas
© EPLA, 2010