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

R. E. Watson, Arthur J Freeman

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)521-526
Number of pages6
JournalPhysical Review
Volume123
Issue number2
DOIs
Publication statusPublished - 1961

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constrictions
wave functions
atoms
equivalence
eigenvalues
symmetry
electrons

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Analytic Hartree-Fock wave functions for the 3p-shell atoms. / Watson, R. E.; Freeman, Arthur J.

In: Physical Review, Vol. 123, No. 2, 1961, p. 521-526.

Research output: Contribution to journalArticle

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