English

GW approximation with self-screening correction

Strongly Correlated Electrons 2015-06-03 v1

Abstract

The \emph{GW} approximation takes into account electrostatic self-interaction contained in the Hartree potential through the exchange potential. However, it has been known for a long time that the approximation contains self-screening error as evident in the case of the hydrogen atom. When applied to the hydrogen atom, the \emph{GW} approximation does not yield the exact result for the electron removal spectra because of the presence of self-screening: the hole left behind is erroneously screened by the only electron in the system which is no longer present. We present a scheme to take into account self-screening and show that the removal of self-screening is equivalent to including exchange diagrams, as far as self-screening is concerned. The scheme is tested on a model hydrogen dimer and it is shown that the scheme yields the exact result to second order in (U0U1)/2t(U_{0}-U_{1})/2t where U0U_{0} and U1U_{1} are respectively the onsite and offsite Hubbard interaction parameters and tt the hopping parameter.

Keywords

Cite

@article{arxiv.1110.6765,
  title  = {GW approximation with self-screening correction},
  author = {F. Aryasetiawan and R. Sakuma and K. Karlsson},
  journal= {arXiv preprint arXiv:1110.6765},
  year   = {2015}
}

Comments

9 pages, 2 figures; Submitted to Phys. Rev. B

R2 v1 2026-06-21T19:28:21.871Z