Broken symmetry in density-functional theory: Analysis and cure
Copyright policy )Broken symmetry in density-functional theory: Analysis and cure
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
- Helsinki University of Technology Finland
- University of Helsinki Finland
- Aalto University Finland
- Oulu University Hospital Finland
- University of Oulu Finland
Condensed Matter (cond-mat), FOS: Physical sciences, SDW, Condensed Matter, DFT, ED
Condensed Matter (cond-mat), FOS: Physical sciences, SDW, Condensed Matter, DFT, ED
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