Exchange-only theory: Relation between exchange energy, its functional derivative and eigenvalue sums in an inhomogeneous electron liquid

Á Nagy, N. H. March

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

In earlier work (Phys. Rev. A, 55, 3465, 1997) one of us (A.N.) has related the exchange-only potential designed to reproduce the Hartree-Fock density to the sum of the Slater potential and a term involving the difference between the eigenvalues of the Hartree-Fock (HF) and Kohn-Sham (KS) wave functions. Here, a consequence of this approximate theory is derived that relates the total exchange energy to its functional derivative and to the difference ΔEs between the eigenvalue sums of the HF and KS schemes.

Original languageEnglish
Pages (from-to)671-676
Number of pages6
JournalPhysics and Chemistry of Liquids
Volume37
Issue number6
DOIs
Publication statusPublished - Jan 1 1999

Keywords

  • Exchange-only theory
  • Inhomogeneous electron liquid

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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