TY - JOUR
T1 - Analytic Hartree-Fock wave functions for the 3p-shell atoms
AU - Watson, R. E.
AU - Freeman, A. J.
N1 - Funding Information:
Part of the work of this author was supported by the Ordnance Materials Research Office.
Copyright:
Copyright 2007 Elsevier B.V., All rights reserved.
PY - 1961
Y1 - 1961
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRev.123.521
DO - 10.1103/PhysRev.123.521
M3 - Article
AN - SCOPUS:0001256451
VL - 123
SP - 521
EP - 526
JO - Physical Review
JF - Physical Review
SN - 0031-899X
IS - 2
ER -