On the accuracy of second-order Møller-Plesset correlation energies |
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Authors: | J R Flores |
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Institution: | Departamento de Química Física y Química Orgánica, Universidad de Vigo, Facultad de Ciencias (CUVI), 36200-, Vigo, Spain |
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Abstract: | Accurate second-order Møller-Plesset correlation energies are computed and compared with several semi-empirical estimates of the total correlation energies including those provided by Clementi, Anno and Teruya, and the recent results of Davidson, Froese and co-workers, for atoms with ten, twelve and eighteen electrons. Somewhat surprisingly, the MP2 correlation energies present what is considered to be in good agreement with the newest estimates, especially when the behaviour with the nuclear charge is examined. |
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