High-energy electron and X-ray scattering cross sections of N2. A MR-SDCI study

The N2 molecule is known to display large discrepancies between calculated and experimental high-energy electron scattering cross sections. In order to resolve uncertainties with regard to the hitherto incomplete correlation treatment, experimentally accessible scattering cross sections (including those for X-ray scattering) are calculated from highly correlated MR-SDCI wavefunctions. The results suggest that even accounting for the entire electron correlation will not give satisfactory overall agreement between theory and experiment.