SELF-INTERACTION-CORRECTED LOCAL-SPIN-DENSITY-FUNCTIONAL THEORY FOR STRONGLY CORRELATED ELECTRON-SYSTEMS

被引：0

作者：

MIYAZAKI, T ^{[1
]}

ISHII, Y ^{[1
]}

TERAKURA, K ^{[1
]}

机构：

[1] HIMEJI INST TECHNOL,FAC SCI,DEPT MAT SCI,OSAKA 67812,JAPAN

来源：

PROGRESS OF THEORETICAL PHYSICS SUPPLEMENT | 1991年 / 106期

关键词：

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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.

引用

页码：173 / 185

页数：13

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