Issue 0, 1972

Interpretation of high energy photoelectron spectra satellite peaks by semi-empirical molecular orbital calculations

Abstract

The sudden approximation is used to calculate the position and intensity of satellites accompanying core ionization in a series of molecules utilizing wavefunctions calculated in the INDO approximation. The results show semi-quantitative agreement with experiment and allow the assignment of various satellites to particular excitations accompanying primary ionization (shake-up). It is shown that in the case of degenerate hole states a localized hole state approximation is needed in order to interpret the satellites.

Article information

Article type
Paper

J. Chem. Soc., Faraday Trans. 2, 1972,68, 1866-1871

Interpretation of high energy photoelectron spectra satellite peaks by semi-empirical molecular orbital calculations

L. J. Aarons, M. F. Guest and I. H. Hillier, J. Chem. Soc., Faraday Trans. 2, 1972, 68, 1866 DOI: 10.1039/F29726801866

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