Iron Series Hartree-Fock Calculations
- 15 May 1960
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 118 (4) , 1036-1045
- https://doi.org/10.1103/physrev.118.1036
Abstract
Seventy-six Hartree-Fock calculations have been completed for the iron series (Sc to Cu) atoms and ions. All calculations are for the type of configuration (i.e., no electrons are present). The results are discussed, but due to lack of space, are not presented here. Comparisons are made with the experimental ionization and multiplet spectra. Agreement is poor due to limitations in the Hartree-Fock formalism. The results are used in an effort to gain information concerning correlation energies.
Keywords
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