Self-Interaction-Corrected Local-Spin-Density-Functional Theory for Strongly Correlated Electron Systems

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概要

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• 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

• ISHII Yoshinobu

  Advanced Science Research Center, Japan Atomic Energy Research Institute

• TERAKURA Kiyoyuki

  Institute for Solid State Physics, University of Tokyo

• Terakura Kiyoyuki

  Institute For Solid State Physics University Of Tokyo

• Terakura Kiyoyuki

  Institute For Solid State Physics The University Of Tokyo

• Miyazaki Tsuyoshi

  National Institute For Materials Science (nims)

• Ishii Y

  Japan Atomic Energy Res. Inst. Ibaraki

• Ishii Yasushi

  Department Of Applied Physics Faculty Of Engineering The University Of Tokyo

• Ishii Yasushi

  Department Of Material Science Faculty Of Science Himeji Institute Of Technology

• MIYAZAKI Tsuyoshi

  Institute for Solid State Physics, University of Tokyo

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