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.
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收藏
页数：6
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