Self-Interaction-Corrected Local-Spin-Density-Functional Theory for Strongly Correlated Electron Systems
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概要
- 論文の詳細を見る
Svane and Gunnarsson's method of the self-interaction corrected local-spin-density approximation (SIC-LSDA) in the density-functional theory was applied to the one-dimensional Hubbard model and the two-dimensional pd Hubbard model in order to study the one particle energy spectrum. The calculated energy band in the SIC-LSDA gives a reasonable band gap in contrast to serious underestimation of it by the LSDA and slight overestimation by the Hartree-Fock approximation. Behavior of SIC localized orbitals is also discussed.
- 理論物理学刊行会の論文
- 1992-02-25
著者
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ISHII Yoshinobu
Advanced Science Research Center, Japan Atomic Energy Research Institute
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TERAKURA Kiyoyuki
Institute for Solid State Physics, University of Tokyo
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Terakura Kiyoyuki
Institute For Solid State Physics University Of Tokyo
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Terakura Kiyoyuki
Institute For Solid State Physics The University Of Tokyo
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Miyazaki Tsuyoshi
National Institute For Materials Science (nims)
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Ishii Y
Japan Atomic Energy Res. Inst. Ibaraki
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Ishii Yasushi
Department Of Applied Physics Faculty Of Engineering The University Of Tokyo
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Ishii Yasushi
Department Of Material Science Faculty Of Science Himeji Institute Of Technology
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MIYAZAKI Tsuyoshi
Institute for Solid State Physics, University of Tokyo
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