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

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

2012-04-19

arxiv.org/abs/1204.4382v1

Physics

Condensed Matter

Materials Science

Submitted to revista Cubana de Fisica

Scientific paper

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.

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