Perturbative calculation of the Sternheimer anti-shielding factor with Hartree-Fock atomic orbitals

preprint2012arXivOpen access

Abstract

We report a calculation of the Sternheimer anti-shielding factor, γ, 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 γ(r) for Fe^{3+} and Cu^{1+} inner electronic cores are reported and compared with literature values, obtained from alternative methodologies.

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