A study of calculated xhyphen;ray and electron diffraction scattering intensities by CO(1Sgr;+): Electron correlation effects

摘要

Xhyphen;ray and high energy electron scattering intensities by CO(1Sgr;+) have been calculated for an MCSCF wavefunction. These results are compared to previous studies with an SCF wavefunction. It is found that both onehyphen;electron and twohyphen;electron parts of the scattering intensities undergo small, but comparable changes with the introduction of electron correlation by the MCSCF wavefunction. Generalized xhyphen;ray scattering factors for a lsqb;2Verbar;2rsqb; expansion are also compared with a previous SCF result.