Nuclear magnetic shielding constants and x-ray atomic scattering factors for two-, three-, and four-electron systems by means of analytic hartree-fock wavefunctions

Abstract

Nuclear magnetic shielding constants and x-ray atomic scattering factors have been calculated for two-, three-, and four-electron systems using the best analytical self-consistent field functions of Roothaan, Sachs, and Weiss, and where possible, the reported values have been compared with the ones already published. It is pointed out that it may not be possible to extract any reliable information about the angular and radial correlations of electrons in the atoms and ions considered here from the scattering factors.