Hartree-fock wave functions for the 4p-shell atoms

R. E. Watson, Arthur J Freeman

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99 Citations (Scopus)

Abstract

Conventional (or restricted) Hartree-Fock wave functions have been obtained for Ga+, Ge++, Br-, Rb+, and the neutral atoms Zn, Ga, Ge, As, Se, Br, and Kr. Analytic Hartree-Fock methods utilizing a version of Nesbet's symmetry and equivalence restrictions were used to obtain the solutions in analytic form (sums of powers of r times exponentials). Results are given in the form of wave functions, one-electron energies, and total energies. Comparison is made with the earlier results for Zn and Kr, the only atoms in this group for which Hartree-Fock solutions exist.

Original languageEnglish
Pages (from-to)1117-1123
Number of pages7
JournalPhysical Review
Volume124
Issue number4
DOIs
Publication statusPublished - 1961

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wave functions
neutral atoms
atoms
equivalence
constrictions
electron energy
symmetry
energy

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  • Physics and Astronomy(all)

Cite this

Hartree-fock wave functions for the 4p-shell atoms. / Watson, R. E.; Freeman, Arthur J.

In: Physical Review, Vol. 124, No. 4, 1961, p. 1117-1123.

Research output: Contribution to journalArticle

Watson, R. E. ; Freeman, Arthur J. / Hartree-fock wave functions for the 4p-shell atoms. In: Physical Review. 1961 ; Vol. 124, No. 4. pp. 1117-1123.
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