A generalized Kohn-Sham scheme

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

A generalized Kohn-Sham scheme in which the correlation energy disappears is presented. Therefore, exchange energy has to be determined instead of the exchange-correlation energy and it can be calculated very accurately. Contrary to the standard density functional theory, in the generalization presented here the density can change by a constant factor: Oζ(r) = O(r)/ζ, proposed by Chan and Handy a couple of years ago. Making use of the method a simple approximate relation for the correlation energy of the original Kohn-Sham scheme is derived.

Original languageEnglish
Pages (from-to)492-495
Number of pages4
JournalChemical Physics Letters
Volume411
Issue number4-6
DOIs
Publication statusPublished - Aug 15 2005

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'A generalized Kohn-Sham scheme'. Together they form a unique fingerprint.

  • Cite this