Ab initio self-energy corrections in systems with metallic screening

被引:8
作者
Cazzaniga, Marco [1 ]
Manini, Nicola [1 ]
Molinari, Luca Guido [1 ]
Onida, Giovanni [1 ]
机构
[1] Univ Milan, ETSF, Dept Phys, I-20133 Milan, Italy
来源
PHYSICAL REVIEW B | 2008年 / 77卷 / 03期
关键词
D O I
10.1103/PhysRevB.77.035117
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The calculation of self-energy corrections to the electron bands of a metal requires the evaluation of the intraband contribution to the polarizability in the small-q limit. When neglected, as in standard GW codes for semiconductors and insulators, a spurious gap opens at the Fermi energy. Systematic methods to include intraband contributions to the polarizability exist, but require a computationally intensive Fermi-surface integration. We propose a numerically cheap and stable method based on a fit of the power expansion of the polarizability in the small-q region. We test it on the homogeneous electron gas and on real metals such as sodium and aluminum.
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