Abstract
An efficient approach to calculate shake-off satellite contributions to molecular Auger spectra is presented. The vertical ab initio energies of the transition to the triply ionized final states of the shake-off process are calculated by a Green's function method. An estimate of the Auger transition rates based on an analysis of the hole localization in the final states is used for a theoretical simulation of the spectrum. The method is applied to the Auger spectrum of LiF.
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