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 language | English |
|---|---|
| Journal | Physical Review A - Atomic, Molecular, and Optical Physics |
| Volume | 36 |
| Issue number | 3 |
| Pages (from-to) | 1050-1062 |
| ISSN | 1050-2947 |
| DOIs | |
| Publication status | Published - 1987 |
Bibliographical note
Copyright (1987) by the American Physical Society.Fingerprint
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