Density-functional theory on a lattice: Comparison with exact numerical results for a model with strongly correlated electrons

K. Schönhammer, O. Gunnarsson, and R. M. Noack
Phys. Rev. B 52, 2504 – Published 15 July 1995
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Abstract

Most of the basic ideas of the density-functional theory (DFT) are shown to be unrelated to the fact that the particle density is used as the basic variable. After presenting the general formalism and a simple example unrelated to densities, we discuss various approaches to density-functional theory on a lattice. One has proven useful for the understanding of various fundamental issues of the DFT. The exact Kohn-Sham band gap and the band gap in the local-density approximation (LDA) are compared to the exact results for a one-dimensional model. As the interacting homogeneous system can be solved exactly no further approximation is needed to formulate the LDA.

  • Received 13 January 1995

DOI:https://doi.org/10.1103/PhysRevB.52.2504

©1995 American Physical Society

Authors & Affiliations

K. Schönhammer

  • Department of Physics, University of California San Diego, La Jolla, California 92093

O. Gunnarsson

  • Max-Planck-Institut für Festkörperforschung, D-70506 Stuttgart, Germany

R. M. Noack

  • Department of Physics, University of California, Irvine, California 92717

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Issue

Vol. 52, Iss. 4 — 15 July 1995

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