Profile changes of X-ray spectra and their interpretation using the molecularorbital method (Review)

Abstract

Approximations for calculating X-ray emission spectra and X-ray absorption spectra of solids and molecules are described. It is shown that the X-ray emission spectral profiles are well reproduced by the partial electron density of states calculations, and the X-ray absorption spectral profiles are well reproduced by the unoccupied electron densities for solids and molecules. Information contained in the X-ray spectra is discussed.