Paul S. Bagus, Klaus Hermann, et al.
The Journal of Chemical Physics
The satellite structure in the valence shell x-ray photoelectron spectrum (XPS) of CO is studied. The configuration interaction method is used to construct correlated many-electron wave functions for the different final states of CO+. It is found that (1) the conventional shake-up model cannot explain the satellite structure; (2) a considerable amount of intensity is lost from the main, "single-hole," î+2 states (3σ-1, 4σ-1, and 5σ-1) due to electron correlation; and (3) the 3σ-1 peak satellites are at lower, rather than higher, binding energy than the main peak. Franck-Condon broadening is estimated and shown to be a major cause of the large width of the observed structures on the high-binding-energy side of the 4σ-1 peak. Our conclusions are supported by the results of other electron spectroscopies in addition to XPS. © 1977 The American Physical Society.
Paul S. Bagus, Klaus Hermann, et al.
The Journal of Chemical Physics
Paul S. Bagus, Henry F. Schaefer III
The Journal of Chemical Physics
Wolfgang Müller, Paul S. Bagus
Journal of Electron Spectroscopy and Related Phenomena
Charles W. Bauschlicher Jr., Paul S. Bagus, et al.
The Journal of Chemical Physics