The Inner-Shell Hole of Alkali Metals Studied by the DV-Xα Method

Abstract

The discrete variational (DV) Xα method is applied to investigate the outermost inner-shell hole of all alkali metals. Calculations are performed for the model clusters M₉ and M₅₉ of alkali metals. The hole is assumed to be at the center of the cluster in the bcc structure. The hole potential of Rb and Cs is found to be extended to the cluster size. The result is applied to investigate the anomalous edge of X-ray absorption spectrum and the asymmetric shape of X-ray photoemission spectrum, but we could not find any peculiar characteristics expected for Cs. The obtained singularity indices α 's and the edge exponents α _l's of all the elements are very similar to those obtained by predecessors, failing to obtain a small value of α ₀ for Cs which is claimed by experiment.