Broken Symmetry in Density-Functional Theory: Analysis and Cure

Abstract

We present a detailed analysis of the broken-symmetry mean-field solutions using a four-electron rectangular quantum dot as a model system. Comparisons of the density-functional theory predictions with the exact ones show that the symmetry breaking results from the single-configuration wave function used in the mean-field approach. As a general cure we present a scheme that systematically incorporates several configurations into the density-functional theory and restores the symmetry. This cure is easily applicable to any density-functional approach.

4 pages, 4 figures, submitted to PRL

References in corpus (2)

• Spin-density-functional theory of circular and elliptical quantum dots
• Electronic structure of rectangular quantum dots

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