Hartree-Fock method posed as a density-functional theory: Application to the Be atom

A. Holas, N. H. March, Y. Takahashi, and C. Zhang
Phys. Rev. A 48, 2708 – Published 1 October 1993
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Abstract

The Hartree-Fock ground-state energy and electron density are first shown to be derivable from a local one-body effective potential v(r). As a nontrivial example, attention is then focused on the Be atom and isoelectronic atomic ions, the wave functions being written in terms of the density amplitude and phase. Some related general comments on the two-level one-dimensional system are included; kinetic-energy density is shown to be a local functional of electron density generated by the harmonic-oscillator potential.

  • Received 8 March 1993

DOI:https://doi.org/10.1103/PhysRevA.48.2708

©1993 American Physical Society

Authors & Affiliations

A. Holas

  • Institute of Physical Chemistry of the Polish Academy of Sciences, 44/52 Kasprzaka, 01-224 Warsaw, Poland

N. H. March

  • Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford OX1 3UB, England

Y. Takahashi

  • Theoretical Physics Institute, University of Alberta, Edmonton, Canada T6G 2J1

C. Zhang

  • Department of Physics, University of Wollongong, New South Wales 2500, Australia
  • Theoretical Physics Institute, University of Alberta, Edmonton, Canada T6G 2J1

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Vol. 48, Iss. 4 — October 1993

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