Analytic Hartree-Fock Wave Functions for the-Shell Atoms
- 15 July 1961
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 123 (2) , 521-526
- https://doi.org/10.1103/physrev.123.521
Abstract
Hartree-Fock wave functions have been obtained for the -row atoms, i.e., for neutral Al, Si, P, S, Cl, and Ar, and for . 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 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.
Keywords
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