Accurate inelastic scattering factors for lithium to argon calculated from MR-SDCI wavefunctions Original Research Article

Inelastic (or X-ray incoherent) scattering factors for Li to Ar are presented which take into account electron correlation to a large extent. The scattering factors were derived from MR-SDCI (multi-reference singly and doubly excited configuration interaction) calculations which recover between 90 and 99% of the estimated total correlation energy. Experimental high-energy electron and X-ray scattering cross sections available for Ne and Ar are compared with the corresponding calculated results.