Semiempirical configuration interaction
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J. Bustad; S. Lunell
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Article
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1998
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John Wiley and Sons
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English
β 184 KB
INDOrCI calculations were used to analyze the C1s and O1s shake-up Ε½ . spectra of nickel tetracarbonyl, Ni CO . The satellite structure in both cases is dominated 4 Ε½ . Ε½ . by excitations from metalαligand bonding 2 βΈ to metalαligand antibonding 2 βΈ b a orbitals and by excitations within the core-io