A study of calculated x-ray and electron diffraction scattering intensities by CO(1Σ+): Electron correlation effects

X-ray and high energy electron scattering intensities by CO(1Σ+) have been calculated for an MCSCF wavefunction. These results are compared to previous studies with an SCF wavefunction. It is found that both one-electron and two-electron parts of the scattering intensities undergo small, but comparable changes with the introduction of electron correlation by the MCSCF wavefunction. Generalized x-ray scattering factors for a [2‖2] expansion are also compared with a previous SCF result.