, Volume 49, Issue 2, pp 143-149

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

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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.