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Issue 0, 1975
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Theoretical study, including correlation effects, of the low-energy photoelectron spectrum of ozone

Abstract

The reasons for the prediction by Koopmans' theorem of the incorrect order of the low-lying ionic states of O+3 are investigated. Such a discrepancy does not arise from differential orbital relaxation occurring on ionization, but is associated with the different correlation energies of the various states of O+3 which we have obtained from large scale configuration interaction calculations.

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J. Chem. Soc., Faraday Trans. 2, 1975,71, 1906-1908
Article type
Paper

Theoretical study, including correlation effects, of the low-energy photoelectron spectrum of ozone

I. H. Hillier and J. Kendrick, J. Chem. Soc., Faraday Trans. 2, 1975, 71, 1906
DOI: 10.1039/F29757101906

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