A new single-center perturbation theory for the treatment of simple hydrides |
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Authors: | Keith McDowell |
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Institution: | Department of Chemistry and Geology, Clemson University, Clemson, South Carolina 29631, USA |
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Abstract: | The perturbation expansion of Hartree-Fock potential energy surfaces of simple hydrides in a single-center scale 1/Z-expansion is carried out using diagrammatic methods. Diagrams having the topological structure of third-order diagrams are summed to all orders using an integral equation technique. The resulting one-electron wavefunction is used to generate a resummed perturbation series correct through fourth order. |
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