Self-interaction correction to GW approximation

被引：7

作者：

Chang, Yao-Wen ^{[1
]}

Jin, Bih-Yaw

机构：

[1] Natl Taiwan Univ, Dept Chem, Ctr Theoret Sci, Taipei 10764, Taiwan

来源：

PHYSICA SCRIPTA | 2012年 / 86卷 / 06期

关键词：

QUASI-PARTICLE; ELECTRON CORRELATION; ATOMS;

D O I：

10.1088/0031-8949/86/06/065301

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A general approach to correct the self-interaction error in GW approximation is proposed, and proved to be exact in the one-electron limit. The correction is expressed by vertex corrections to both the self-energy and the polarization, and the formulation can be shown to be equivalent to the Schneider-Taylor-Yaris approximation of many-body scattering theory. The suitability of this correction in many-electron systems is also discussed. Numerical calculations of the two-electron two-site Hubbard model are performed to illustrate the effects of the self-interaction correction on many-electron systems.

引用

页数：6

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