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

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