Calculation of the correlation energy of molecules by many-body rayleigh-schrödinger perturbation theory up to third order |
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| Authors: | M. Urban V. Kellö I. Hubač |
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| Affiliation: | The Comenius University, Department of Physical Chemistry, 81631 Bratislava, Czechoslovakia;Department of Mathematics, Chemical Faculty, Slovak Technical University, 88037 Bratislava, Czechoslovakia |
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| Abstract: | The correlation energy of the H2O, BH, HF and Ne systems is calculated by many-body Rayleigh-Schrödinger perturbation theory up to third order, and compared with CI calculations in exactly the same basis sets. |
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