English

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

Materials Science 2009-11-13 v2

Abstract

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.

Keywords

Cite

@article{arxiv.0709.1564,
  title  = {Ab-initio self-energy corrections in systems with metallic screening},
  author = {Marco Cazzaniga and Nicola Manini and Luca Guido Molinari and Giovanni Onida},
  journal= {arXiv preprint arXiv:0709.1564},
  year   = {2009}
}

Comments

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

R2 v1 2026-06-21T09:16:08.292Z