Broken symmetry in density-functional theory: Analysis and cure
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Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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Date
2004-04-01
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Language
en
Pages
4
1-4
1-4
Series
PHYSICAL REVIEW B, Volume 69, issue 15
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.Description
Keywords
DFT, ED, SDW
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Citation
Harju , A , Räsänen , E , Saarikoski , H , Puska , M J , Nieminen , R M & Niemelä , K 2004 , ' Broken symmetry in density-functional theory: Analysis and cure ' , Physical Review B , vol. 69 , no. 15 , 153101 , pp. 1-4 . https://doi.org/10.1103/PhysRevB.69.153101
