• Rapid Communication

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

A. Svane and O. Gunnarsson
Phys. Rev. B 37, 9919(R) – Published 1 June 1988
PDFExport Citation

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.

  • Received 16 December 1987

DOI:https://doi.org/10.1103/PhysRevB.37.9919

©1988 American Physical Society

Authors & Affiliations

A. Svane

  • Institute of Physics, University of Aarhus, DK-8000 Aarhus C, Denmark

O. Gunnarsson

  • Max-Planck Institut für Festkörperforschung, D-7000 Stuttgart 80, West Germany

References (Subscription Required)

Click to Expand
Issue

Vol. 37, Iss. 16 — 1 June 1988

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review B

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×