Role of symmetry restrictions on valence electron binding energies of CF4

Abstract

A b initio LCAO MO calculations within the Hartree–Fock formalism have been carried out on all ionized states of CF4 and the effects of molecular symmetry restrictions on computed hole state energies are closely examined. It is emphasized that localization, which ordinarily affects core holes, is also of importance for describing inner valence and excited levels with both Hartree–Fock and correlated calculations.