Hierarchy of equations for the energy functional of the density-functional theory

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24 Citations (Scopus)

Abstract

A hierarchy of equations has been derived for the energy functionals of the density-functional theory using the virial theorem and the Levy-Perdew relation. In the local-density approximation, the solution of the equations of hierarchy for the kinetic and exchange energies provides the well-known Thomas-Fermi expression for the kinetic energy and the Slater-Gáspár-Kohn-Sham expression for the exchange. The truncation of the hierarchies of the kinetic and exchange energies results in rigorous lower bounds to the kinetic energy and upper bounds to the exchange energy in the plane-wave approximation.

Original languageEnglish
Pages (from-to)2715-2719
Number of pages5
JournalPhysical Review A
Volume47
Issue number4
DOIs
Publication statusPublished - Jan 1 1993

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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