Analytic Hartree-Fock wave functions for the 3p-shell atoms

R. E. Watson; Arthur J Freeman

doi:10.1103/PhysRev.123.521

Analytic Hartree-Fock wave functions for the 3p-shell atoms

R. E. Watson, Arthur J Freeman

Northwestern University

Research output: Contribution to journal › Article › peer-review

100 Citations (Scopus)

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	https://doi.org/10.1103/PhysRev.123.521
Publication status	Published - 1961

ASJC Scopus subject areas

Physics and Astronomy(all)

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