SCF Xα SW calculations of chemical shifts of X-ray and electron emission lines and relaxation properties of SiX 4 molecules

Abstract

SCF Xα SW calculations of the 1s and 2p binding energies, KLL Auger energies and Kα transition energies for the molecules SiH 4, SiCl 4 and SiF 4 and the corresponding atomic Xα calculations for charged free silicon ions have been carried out. The results provide information about relaxation properties and anomalous chemical Kα shifts in hydrides.