Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms

Michael Springborg and Jens Peder Dahl
Phys. Rev. A 36, 1050 – Published 1 August 1987
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Abstract

We present formulas for reduced Wigner phase-space functions for atoms, with an emphasis on the first-order spinless Wigner function. This function can be written as the sum of separate contributions from single orbitals (the natural orbitals). This allows a detailed study of the function. Here we display and analyze the function for the closed-shell atoms helium, beryllium, neon, argon, and zinc in the Hartree-Fock approximation. The quantum-mechanical exact results are compared with those obtained with the approximate Thomas-Fermi description of electron densities in phase space.

  • Received 29 December 1986

DOI:https://doi.org/10.1103/PhysRevA.36.1050

©1987 American Physical Society

Authors & Affiliations

Michael Springborg

  • Chemistry Department B, Technical University of Denmark, Bld. 301, DK 2800 Lyngby, Denmark and Nordisk Institut for Teoretisk Atomfysik (NORDITA), Blegdamsvej 17, DK 2100 Kobenhavn O, Denmark

Jens Peder Dahl

  • Chemistry Department B, Technical University of Denmark, Bld. 301, DK 2800 Lyngby, Denmark

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Vol. 36, Iss. 3 — August 1987

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