Theoretica chimica acta

, Volume 49, Issue 2, pp 143–149

On the calculation of correlation energies in the spin-density functional formalism

  • Hermann Stoll
  • Chrysso M. E. Pavlidou
  • Heinzwerner Preuß
Original Investigations

DOI: 10.1007/PL00020511

Cite this article as:
Stoll, H., Pavlidou, C.M.E. & Preuß, H. Theoret. Chim. Acta (1978) 49: 143. doi:10.1007/PL00020511
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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.

Key words

Dynamical correlation Density functional 

Copyright information

© Springer-Verlag 1978

Authors and Affiliations

  • Hermann Stoll
    • 1
  • Chrysso M. E. Pavlidou
    • 1
  • Heinzwerner Preuß
    • 1
  1. 1.Institut für Theoretische Chemie der Universität StuttgartStuttgart 80Federal Republic of Germany

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