Perturbation treatment of the hartree‐fock‐slater (Xα) equations for the three‐electron ions | Zendy

Singh S. R. | Zendy; Smith V. H. | Zendy

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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.

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