Perturbation calculations on the split-shell wavefunctions of two-electron atoms |
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| Authors: | Prof. Dr. Delano P. Chong Chee P. Yue William R. Scott |
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| Affiliation: | (1) Department of Chemistry, University of British Columbia, Vancouver 8, B.C., Canada;(2) Present address: Forever-Green Development Ltd., 4243-184 Street, Cloverdale, Surrey, R.R.2, B.C., Canada |
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| Abstract: | In a special case of the Löwdin-Adams variant of perturbation theory, knowledge of the perturbed wavefunction through first order is sufficient for the calculation of the energy correct to the fifth order. This is applied to the split-shell wavefunctions of H–, He, and Li–. The results are presented, compared with other approaches, and discussed. |
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| Keywords: | Helium isoelectronic series Split-shell wavefunctions Lö wdin-Adams perturbation theory Off-diagonal perturbation Scaled perturbation |
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