Calculation of the HeI photoelectron spectrum of CS including satellite lines

W. Domcke, L. S. Cederbaum, W. von Niessen, W. P. Kraemer

Publikation: Beitrag in FachzeitschriftArtikelBegutachtung

27 Zitate (Scopus)

Abstract

The ionization potentials and the vibrational structure in the photoelectron spectrum of the CS molecule aer 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 shake-up line and the fourth to the 6σ orbital. The calculated vibrational structure is in good agreement with experiment and corroborates this assignment.

OriginalspracheEnglisch
Seiten (von - bis)258-262
Seitenumfang5
FachzeitschriftChemical Physics Letters
Jahrgang43
Ausgabenummer2
DOIs
PublikationsstatusVeröffentlicht - 15 Okt. 1976

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