Correlation and multiplet hole theory of core‐electron energy splittings in transition‐metal ions

P. S. Bagus, Arthur J Freeman, F. Sasaki

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A theory of multiplet hole splittings of core‐electron binding energies in transition‐metal ions is developed including correlation effects. Correlation effects are found to be important for understanding the magnitude and intensity ratios of the observed splittings. New multiplet structure is predicted for the 3s multiplets, a structure which does not exist in any rigorous one‐electron theory and which has now been observed by Kowalczyk et al.

Original languageEnglish
Pages (from-to)83-92
Number of pages10
JournalInternational Journal of Quantum Chemistry
Issue number7 S
Publication statusPublished - 1973


ASJC Scopus subject areas

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

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