A Discussion of Analytic and Hartree-Fock Wave Functions forConfigurations fromto C v
- 15 February 1954
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 93 (4) , 757-761
- https://doi.org/10.1103/physrev.93.757
Abstract
Two simple analytic expressions are presented, both of which are excellent approximations to a Hartree-Fock wave function in a configuration. One of these expressions is a two-parameter function and the other a three-parameter one. The parameters were chosen variationally and their values are given for the various members of the isoelectronic sequence from to C v. The energies were also computed, and the energies and the wave functions are compared with the corresponding Hartree-Fock quantities where the latter are known. Both the two- and the three-parameter functions approximate the numerical functions closely and give energies as low, or almost as low, as the more reliable of the Hartree-Fock energies. The three-parameter wave function proves to be the better, particularly in the case of . Some comments are made on the existing numerical functions and their energies.
Keywords
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