Seminars Archive
Paul S. Bagus
Abstract
Thursday, November 16, 2000, 10:00
Seminar Room, ground floor, Building "T"
Sincrotrone Trieste, Basovizza
Many electron effects for the XPS spectra of transition metal systems.
The physcis of CI
Paul S. Bagus
(Department of Chemistry, Texas A&M University)
ABSTRACT
For closed shell systems, X-ray photoemission spectroscopy, XPS, spectra
can often be interpreted from a one-electron point of view and the spectra
are dominated by main peaks with low intensity satellites. This is no longer
the case when systems contain open-shells, especially atoms or complexes
with open d or f shells; such systems have complex spectra and it is not
possible to assign peaks to one electron levels. It is shown that configuration
mixing. or configuration interaction, CI, is a powerful conceptual basis
which can be used to classify and understand the various many electron
effects. It clarifies what is often believed to be obscure and difficult
physics.
