On the calculation of correlation energies in the spin-density functional formalism |
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Authors: | Hermann Stoll Chrysso M E Pavlidou Heinzwerner Preuß |
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Institution: | 1. Institut für Theoretische Chemie der Universit?t Stuttgart, Pfaffenwaldring 55, D-7000, Stuttgart 80, Germany
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Abstract: | It is shown that dynamical correlation effects can be adequately treated using the local spin-density approximation. The computational
effort is very small compared to CI calculations. The method is applied to correlation energies and ionization potentials
of the atoms Li to Ar and binding energies of the diatomic hydrides LiH to HCl. |
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Keywords: | Dynamical correlation Density functional |
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