Finite-basis-set optimized effective potential exchange-only method

Stanislav Ivanov, So Hirata, Rodney J. Barlett

Research output: Contribution to journalArticlepeer-review


A general finite-basis-set formulation of the optimized effective potential (OEP) method is presented. This formulation can be viewed as a generalization of previous work. It is demonstrated numerically that when sufficiently large projection basis sets are used, the ground-state energies obtained from the basis-set formulations of the Hartree-Fock (HF) and of the OEP exchange-only methods are very close.

Original languageEnglish (US)
Pages (from-to)1269-1276
Number of pages8
JournalJournal of Chemical Physics
Issue number4
StatePublished - Jan 22 2002
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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