Localization in the self-interaction-corrected density-functional formalism

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Abstract
We show that the self-interaction-corrected (SIC) local spin-density (LSD) approximation can describe localization in a system where the Coulomb interaction is large compared with the band-width. In contrast with the normal LSD approximation, the SIC approximation can be used for a band with orbital degeneracy, even if the band is not half filled. The method is applied to the one-dimensional Hubbard model for which there is an exact solution. The total energy, the band gap, the local moment, and the momentum distribution are substantially better described than in the LSD approximation. For some of these properties the SIC approach is shown to compare favorably with the Gutzwiller ansatz.