Dirac-Fock discrete-basis calculations on the beryllium atom |
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| Authors: | Yasuyuki Ishikawa R.C. Binning K.M. Sando |
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| Affiliation: | Department of Chemistry, University of Puerto Rico, Rio Piedras, Puerto Rico 00931, USA;Department of Chemistry and Physics, Ohio Dominican College, Columbus, Ohio 43219, USA;Department of Chemistry, The University of Iowa, Iowa City, Iowa 52242, USA |
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| Abstract: | Calculations have been performed on the beryllium atom with basis sets of the type used by Drake and Goldman in calculations on one-electron systems. Energies are found to converge toward the Dirac-Fock limit monotonically from above. A basis introduced by Huzinaga, shown to have properties in common with those of Drake and Goldman, is found to produce similar good results. |
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