Calculation of the HeI photoelectron spectrum of CS including satellite lines

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

Research output: Contribution to journalArticlepeer-review

27 Scopus citations

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.

Original languageEnglish
Pages (from-to)258-262
Number of pages5
JournalChemical Physics Letters
Volume43
Issue number2
DOIs
StatePublished - 15 Oct 1976

Fingerprint

Dive into the research topics of 'Calculation of the HeI photoelectron spectrum of CS including satellite lines'. Together they form a unique fingerprint.

Cite this