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

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

doi:10.1002/qua.560070712

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

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

Northwestern University

Research output: Contribution to journal › Article

15 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	83-92
Number of pages	10
Journal	International Journal of Quantum Chemistry
Volume	7
Issue number	7 S
DOIs	https://doi.org/10.1002/qua.560070712
Publication status	Published - 1973

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ASJC Scopus subject areas

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

Cite this

Bagus, P. S., Freeman, A. J., & Sasaki, F. (1973). Correlation and multiplet hole theory of core‐electron energy splittings in transition‐metal ions. International Journal of Quantum Chemistry, 7(7 S), 83-92. https://doi.org/10.1002/qua.560070712

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10.1002/qua.560070712