The photoelectron and optical spectra of TiCl4and VCl4are investigated within the framework of the Hartreehyphen;Fockhyphen;Slater model. The sensitivity of these spectra to choice of atomic configuration (in a nonhyphen;selfhyphen;consistent model) and exchange scaling parameter agr; is explored, making use of a discrete variational method previously reported. It is shown that values of agr; can be found to match both ionization potentials and optical transitions fairly well in the simplified one electron model based on superimposed atomic charge densities. Results of selfhyphen;consistent field models are presented, and the relationship to more rigorous theories is discussed.
展开▼
