Electric-field-gradient Sternheimer function for closed shell ions

Abstract

First calculations of the Sternheimer charge perturbed antishieldingfunction β(r) within the uncoupled Hartree-Fock theory are reported for the He, Ne, Ar, Kr, and Xe isoelectronic series, respectively. The results should complement the previously reported calculations of the dual moment perturbed antishieldingfunction γ(r) [Hyp. Int. 12(1982)113; 14(1983)243] and would facilitate more complete calculations of the as yet to be fully evaluated theory of electric field gradients in metals based on the energy of interaction approach. The general trends in β(r) are pointed out and explained.