Application of a semiempirical selfhyphen;consistenthyphen;field band calculation to nearhyphen;edge finehyphen;structure analysis of corehyphen;shell electronic absorption edges

摘要

A modified parametrization of the complete neglect of the differential overlap molecular orbital method is applied to energyhyphen;band calculations of solids. Results of the band calculation are used to calculate the nearhyphen;edge finehyphen;structure of corehyphen;shell electronic absorption edges in electron energy loss spectra. Preliminary application is made to silicon crystal.