Sternheimer antishielding factors for core electrons in metals: Comparison with free-ion results

K. D. Sen and P. T. Narasimhan
Phys. Rev. A 16, 1786 – Published 1 November 1977
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Abstract

The Sternheimer antishielding factor γ has been calculated using nonrelativistic Hartree-Fock-Slater core-electron wave functions for several metallic elements in the third, fourth, and fifth rows of the Periodic Table assuming the ground-state electronic configuration for the transition-metal atoms to be 3dn4s1, 4dn5s1, and 5dn6s2, respectively. These values have been compared with the available γ values based on the free-ionic-core-electron wave functions. For the elements in the intermediate region of each row, the presently calculated γ values are found to be significantly different from the frequently used free-ion values corresponding to the core-electron configuration.

  • Received 16 June 1976

DOI:https://doi.org/10.1103/PhysRevA.16.1786

©1977 American Physical Society

Authors & Affiliations

K. D. Sen and P. T. Narasimhan

  • Department of Chemistry, Indian Institute of Technology, Kanpur-208016, India

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Vol. 16, Iss. 5 — November 1977

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