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Calculation of the HeI photoelectron spectrum of CS including satellite lines

โœ Scribed by W. Domcke; L.S. Cederbaum; W. von Niessen; W.P. Kraemer

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
491 KB
Volume
43
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The ionization potentials and the vibrational structure in the photoelectron spectrum of the CS molecule are calculated using a Green's function approach. The inclusion of many-body corrections to Koopmans' theorem is necessary in order to obtain the correct ordering of the first two ionization potentials. In contrast to previous interpretations of the spectrum the third band has to be assigned to a shakeup line and the fourth to the 60 orbital. The calculated vibrational structure is in good agreement with experiment and corroborates this assignment.

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