Abstract
Abstract The ionization spectra of CS 2 and COS are calculated by the SAC Cl theory for both the outer- and the inner-valence region. The theoretical spectra compare well with the Mg Kα and He II photoelectron spectra, as well as the previous results for CO 2 . In the inner-valence region, the theoretical spectra consist of a large number of peaks due to a mixing between single ionizations and simultaneous ionization—excitation (shake-up) configurations. Assignments of the observed spectra and explanations of the origins of the similarities and differences in the photoelectron spectra of CO 2 , CS 2 and COS are given. The important role of four-electron excited configurations in addition to three-electron ones, which are included as unlinked terms in the SAC Cl theory, is indicated.
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