Hartree-Fock Wave Functions for the 4p-Shell Atoms
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.
- Publication:
-
Physical Review
- Pub Date:
- November 1961
- DOI:
- 10.1103/PhysRev.124.1117
- Bibcode:
- 1961PhRv..124.1117W