Perturbative calculation of the Sternheimer anti-shielding factor with Hartree-Fock atomic orbitals
Materials Science
2012-04-20 v1
Abstract
We report a calculation of the Sternheimer anti-shielding factor, \gamma, by means of first order perturbation theory. In quality of basis functions, we use Hartree-Fock electronic orbitals, expanded on hydrogenic atomic states. The computed \gamma(r) for Fe^{3+} and Cu^{1+} inner electronic cores are reported and compared with literature values, obtained from alternative methodologies.
Keywords
Cite
@article{arxiv.1204.4382,
title = {Perturbative calculation of the Sternheimer anti-shielding factor with Hartree-Fock atomic orbitals},
author = {E. Diaz Suarez and Carlos M. Cruz Inclan and Augusto Gonzalez},
journal= {arXiv preprint arXiv:1204.4382},
year = {2012}
}
Comments
Submitted to revista Cubana de Fisica