• Milestone

Optimized effective atomic central potential

James D. Talman and William F. Shadwick
Phys. Rev. A 14, 36 – Published 1 July 1976
An article within the collection: Physical Review A 50th Anniversary Milestones
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Abstract

A self-consistent set of equations is derived for an atomic central potential such that the energy given by the orbitals for the potential is minimized. It is shown that this effective potential behaves like e2r for large r values. The equations have been solved for carbon, neon, and aluminum, and the resulting total energies exceed the Hartree-Fock total energies by less than 0.005%. The theory leads to an effective, local, central exchange potential analogous to the Xα potential.

  • Received 13 November 1975

DOI:https://doi.org/10.1103/PhysRevA.14.36

©1976 American Physical Society

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This article appears in the following collection:

Physical Review A 50th Anniversary Milestones

The collection contains papers that have made important contributions to atomic, molecular, and optical physics and quantum information by announcing significant discoveries or by initiating new areas of research.

Authors & Affiliations

James D. Talman and William F. Shadwick

  • Department of Applied Mathematics, University of Western Ontario, London, Ontario, Canada N6A 5B9

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Vol. 14, Iss. 1 — July 1976

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