TY - JOUR
T1 - Hartree-fock wave functions for the 4p-shell atoms
AU - Watson, R. E.
AU - Freeman, A. J.
PY - 1961/12/1
Y1 - 1961/12/1
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRev.124.1117
DO - 10.1103/PhysRev.124.1117
M3 - Article
AN - SCOPUS:0011015298
VL - 124
SP - 1117
EP - 1123
JO - Physical Review
JF - Physical Review
SN - 0031-899X
IS - 4
ER -