X-ray and electron elastic scattering factors for He through Ar ground states have been computed from Dirac-Hartree-Fock (DHF) wave functions. Differing from earlier studies, the present DHF wave functions are not restricted to single configurations and will go into the nonrelativistic Hartree-Fock (HF) ground states when the speed of light c --, ~. The relativistic effects have been analyzed through the differences of scattering factors calculated at DHF and HF levels of theory. It has been found that the effects become stronger as the nuclear charge increases and anomalous behavior observed in the literature for C, N, O, Si, P and S is due to the use of either single-or average-energy multiconfiguration DHF wave functions to extract the relativistic effects for these systems preventing attainment of the correct nonrelativistic limit. Scattering factors of common ions of the first-and second-row elements and the valence state of C and Si are also given.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.