Rigorous derivation of the 'xa' exchange potential: A deformation approach

Olivier Bokanowski, Benoit Grebert, Norbert Mauser

Publications: Contribution to journalArticlePeer Reviewed

Abstract

We deal with the 'Slater-Gaspar-Kohn-Sham' local density approximation for the exchange potential of Hartree-Fock models. Our mathematical rigorous method to derive the famous third root term' as well as higher order corrections is based on deformations (local scaling transformations) of plane waves and the 'high density limit' of infinite number of particles. On the level of the exchange energy, this gives a rigorous justification of the Dirac term. For the kinetic energy, this method gives also a rigorous derivation of the Thomas-Fermi-von-Weizsacker model. (C) 2000 Elsevier Science B.V.
Original languageEnglish
Pages (from-to)47-58
Number of pages12
JournalJournal of Molecular Structure: THEOCHEM
Volume501-502
Publication statusPublished - 2000

Austrian Fields of Science 2012

  • 1010 Mathematics

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