Core-hole-electron interaction in x-ray Raman scattering

This work applies a recently developed first-principles scheme for calculat ing core excited states in solids to non-resonant inelastic x-ray scatterin g. The model explicitly includes the interaction between the excited electr on and the core hole. The calculated results are compared with recent exper imental results on inelastic x-ray scattering from K shells of Li, Be and C in lithium fluoride, beryllium oxide and diamond, respectively. The overal l agreement between experimental and theoretical spectra is found to be goo d in all cases, even for the near-edge structure.