Abstract

The multiple-scattering (or scattered-wave) model has been applied to the sulphur hexafluoride molecule, using an approximate Hartree-Fock potential of the Xα type. The calculated ionization energies are compared with the data from the X-ray photoelectron spectroscopy (ESCA) experiments, and found to be in better agreement than either the ab initio (SCF MO LCAO) or semi-empirical (CNDO) results.

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