Self-interaction corrections in the density functional formalism.

Gunnarsson O., Jones R.O.

A self-interaction corrected (SIC) functional has been tested for atoms and ions of the first and second rows and the iron series. There is no systematic improvement on local spin density approximation results for ionization energies and transfer energies involving electrons other than the most tightly bound core electrons. The large improvement in SIC total energies is due to a better description of these electrons.

Solid State Communications, 37 249-52, 1981.

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