Lecture Paul S. Bagus
|21 november 2003||FWN-Building 5116.0107, Nijenborgh 4, 9747 AG, Groningen|
|Speaker:||Prof. P.S. Bagus|
|Affiliation:||Department of Chemistry, University of North Texas, Denton, TX, USA|
|Title:||Many-body effects for the XPS of transition metals: physical insight from configuration interaction theory|
|Date:||Fri Nov 21, 2003|
|Telephone:||+31 50 363 4374|
One-electron models cannot explain the XPS spectra of transition metal, TM, atoms and cations. Many-body, electron correlation, effects make major contributions to these spectra, both for energies and intensities. Previous work on atomic many-body effects for the Mn 3s XPS is reviewed in order to show that configuration interaction wavefunctions provide a transparent way to understand the reasons that many-body effects can lead to such dramatic effects. In particular, the existence of a frustrated Auger configuration, FAC, is shown to be a necessary condition for large many-body contributions. A previously neglected class of FAC's is introduced and shown to improve the accuracy of the theoretical spectra and to predict new satellite structure.1 The concepts presented, although applied to a specific case, are of general importance for TM XPS.
1. Paul S. Bagus, R. Broer, and E. S. Ilton, "A New Near Degeneracy Effect For Photoemission In Transition Metals", Phys. Rev. Lett., submitted.
|Laatst gewijzigd:||22 oktober 2012 14:30|