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Perturbation treatment of the hartree‐fock‐slater (Xα) equations for the three‐electron ions
Author(s) -
Singh S. R.,
Smith V. H.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560050850
Subject(s) - ion , hartree–fock method , electron , atomic physics , perturbation theory (quantum mechanics) , perturbation (astronomy) , physics , slater determinant , fermi gamma ray space telescope , quantum mechanics , atomic orbital
The dependence of α in the Hartree‐Fock‐Slater ( X α) equations on the atomic number Z is studied by solving them in the framework of Z −1 expansion theory for the spin‐polarized three‐electron ions, (1 s aL 1 s 'β 2 s α). Comparison with our previous results for the two‐and four‐electron ions, indicates that the optimum α decreases with increasing number of electrons. The behavior of the Fermi contact term with respect to α is studied.