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• W2016909982 abstract "A self-consistent scheme is presented to predict excitations energies of highly correlated many-electron systems within the self-interaction-corrected local-spin-density approximation. It is based on the minimization of the self-interaction-free total energy. This method yields a global picture of the excitation energies in the form of an effective wave-vector-resolved band structure for occupied and empty eigenstates which are automatically orthogonal to each other. The theory has been tested for the Hubbard-Peierls model in one and two dimensions. The electron removal energies and fundamental energy gaps are found to be substantially more accurate than in the standard local-density theory." @default.
• W2016909982 created "2016-06-24" @default.
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• W2016909982 date "1992-11-15" @default.
• W2016909982 modified "2023-09-26" @default.
• W2016909982 title "Self-interaction-corrected density-functional formalism. II. Band structure of the Hubbard-Peierls model" @default.
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• W2016909982 doi "https://doi.org/10.1103/physrevb.46.12235" @default.
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