Calculations of x-ray emission spectra for sulfur dioxide by the DV-X alpha method

X-ray emission spectra of S K beta, S L-2,L-3 and O K alpha for sulfur diox ide were calculated by the discrete variational X alpha (DV-X alpha) method . The absolute energies of the peaks in the theoretical spectra agree with the experimental values within an error of 3%, The relative energies and in tensities of peaks in the theoretical spectra are in good agreement with th e experimental values, The spectral features of the experimental spectra ar e assigned to the molecular orbitals, Copyright (C) 1999 John Wiley & Sons, Ltd.