Calculations of shake-up satellites intensities in photoelectron spectra by generalized configuration interaction method

Abstract

Satellites i.e. two-hole-one-particle states appear due to many-electron correlations in photoelectron spectra in addition to main lines corresponding to one-hole states. The correct assignment of these states is important for understanding the photoionization processes and for materials analysis by photoelectron spectroscopy. In the present work two different existing methods, which use overlap or Coulomb interaction matrix elements are considered and a new method is proposed. In this technique many-electron effects of satellites origin and interactions between satellite states are accounted for simultaneously by solving secular matrix. The method is applied to satellite states 2p −23p(4p), 2p −23s, 2p −23d of Ne photoionization for which contradiction between two interpretations existed. The results of calculations unambiguously support one the interpretations.