Abstract
We report here the results of our calculation for the position-dependent antishielding factors, and , for the trivalent gallium ion. The dominant part of the contribution which results from the radial mode of excitation of the ion core is calculated in the nonorthogonal Hartree-Fock perturbation theory (NHFPT) of Dalgarno. The less important contribution from the angular mode is evaluated in the Thomas-Fermi (TF) model. The net results of and show that not only these have the expected variation with respect to distance, but also they correctly reduce to the limiting values at and . It is hoped that the use of these antishielding factors in the calculation of electric field gradient in Ga metal will provide a better quantitative understanding of quadrupole interaction in this metal than obtained here-tofore.
- Received 13 May 1983
DOI:https://doi.org/10.1103/PhysRevB.29.5199
©1984 American Physical Society