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International Journal of Quantum Chemistry
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Correlation and multiplet hole theory of core‐electron energy splittings in transition‐metal ions

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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. Copyright © 1973 John Wiley & Sons, Inc.

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International Journal of Quantum Chemistry

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