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

Michael Springborg, Jens Peder Dahl

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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.
Original languageEnglish
JournalPhysical Review A
Volume36
Issue number3
Pages (from-to)1050-1062
ISSN2469-9926
DOIs
Publication statusPublished - 1987

Bibliographical note

Copyright (1987) by the American Physical Society.

Cite this

Springborg, Michael ; Dahl, Jens Peder. / Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms. In: Physical Review A. 1987 ; Vol. 36, No. 3. pp. 1050-1062.
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Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms. / Springborg, Michael; Dahl, Jens Peder.

In: Physical Review A, Vol. 36, No. 3, 1987, p. 1050-1062.

Research output: Contribution to journalJournal articleResearchpeer-review

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T1 - Wigner’s phase-space function and atomic structure: II. Ground states for closed-shell atoms

AU - Springborg, Michael

AU - Dahl, Jens Peder

N1 - Copyright (1987) by the American Physical Society.

PY - 1987

Y1 - 1987

N2 - 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.

AB - 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.

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DO - 10.1103/PhysRevA.36.1050

M3 - Journal article

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JO - Physical Review A (Atomic, Molecular and Optical Physics)

JF - Physical Review A (Atomic, Molecular and Optical Physics)

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