Showing papers by "Tsuyoshi Miyazaki published in 1992"

Self-Interaction-Corrected Local-Spin-Density-Functional Theory for Strongly Correlated Electron Systems (New Aspects of Structure and Electronic Properties of Solids--From Bulk to Surface Physics)

Abstract: 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 overstimation by the Hartree-Fock approximation. Behavior of SIC localized orbitals is also discussed