A generalized Kohn-Sham scheme

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8 Citations (Scopus)


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
Issue number4-6
Publication statusPublished - Aug 15 2005

ASJC Scopus subject areas

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

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