Ab-initio self-energy corrections in systems with metallic screening

Details Ab-initio self-energy corrections in systems with metallic screening Ab-initio self-energy corrections in systems with metallic screening

2007-09-11

arxiv.org/abs/0709.1564v2

Phys. Rev. B 77, 035117 (2008)

Physics

Condensed Matter

Materials Science

revtex, 14 pages including 5 eps figures v2: few fixed

Scientific paper

10.1103/PhysRevB.77.035117

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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