Nonrelativistic variationally optimized exchange potentials for Ne-like atomic ions having large atomic number

I. A. Howard, N. H. March, and J. D. Talman
Phys. Rev. A 68, 044502 – Published 20 October 2003
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Abstract

In an earlier study, the exchange energy density εx(r) has been calculated analytically for Ne-like atomic ions in the nonrelativistic limit of large atomic number Z. Here, though now by numerical methods based on the optimized exchange potential approximation, corresponding results are obtained for Vx(r) for such ten-electron ions at large Z. The approach to the bare Coulomb limiting form of the 1/Z expansion is considered in some detail, as are corrections to the Slater potential VxSl(r), given in terms of the exchange energy density and ground-state density ρ(r) by 2εx(r)/ρ(r).

  • Received 8 April 2003

DOI:https://doi.org/10.1103/PhysRevA.68.044502

©2003 American Physical Society

Authors & Affiliations

I. A. Howard1, N. H. March1,2, and J. D. Talman3

  • 1Department of Physics, University of Antwerp, Groenenborgerlaan 171, Antwerp, Belgium
  • 2Oxford University, Oxford, England
  • 3Department of Applied Mathematics, University of Western Ontario, London, Ontario, Canada

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Vol. 68, Iss. 4 — October 2003

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