Abstract
Hartree-Fock wave functions have been obtained for the 3p-row atoms, i.e., for neutral Al, Si, P, S, Cl, and Ar, and for Cl-. Solutions were determined in analytic form using a version of Nesbet's symmetry and equivalence restrictions to simplify the calculations for atoms with both closed and unclosed shells of the same l value. These restrictions, the reason for their use, and their relation to other open-shell methods are discussed and the calculated one-electron wave functions and their eigenvalues are presented.
| Original language | English |
|---|---|
| Pages (from-to) | 521-526 |
| Number of pages | 6 |
| Journal | Physical Review |
| Volume | 123 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1961 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
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Watson, R. E., & Freeman, A. J. (1961). Analytic Hartree-Fock wave functions for the 3p-shell atoms. Physical Review, 123(2), 521-526. https://doi.org/10.1103/PhysRev.123.521