Optimized potential method for ensembles of excited states

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31 Citations (Scopus)

Abstract

The optimized potential method is derived for ensembles of excited states. The ensemble Hartree-Fock method is introduced and ensemble Hartree-Fock equations are derived. By posing the ensemble Hartree-Fock method as an ensemble density functional one, an ensemble exchange potential is derived. By approximating the ensemble Hartree-Fock orbitals with the ensemble Kohn-Sham ones, the generalized version of the Krieger-Li-Iafrate (KLI) approximation to the optimized effective potential (OPM) method is obtained.

Original languageEnglish
Pages (from-to)247-254
Number of pages8
JournalInternational Journal of Quantum Chemistry
Volume69
Issue number3
DOIs
Publication statusPublished - Jan 1 1998

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

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