Ab initio exchange‐correlation parameter in the Xα method

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The method of statistical exchange‐correlation parameter is presented. It has been shown that there is only a small difference between the self‐consistent, the statistical, and the αHF parameters. We suggest using statistical exchange‐correlation parameters in molecular calculations.

Original languageEnglish
Pages (from-to)269-278
Number of pages10
JournalInternational Journal of Quantum Chemistry
Issue number2
Publication statusPublished - 1987

ASJC Scopus subject areas

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

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