English

GW approximations and vertex corrections on the Keldysh time-loop contour: application for model systems at equilibrium

Other Condensed Matter 2011-11-23 v3

Abstract

We provide the formal extension of Hedin's GW equations for single-particle Green's functions with electron-electron interaction onto the Keldysh time-loop contour. We show an application of our formalism to the plasmon model of a core electron within the plasmon-pole approximation. We study in detail the diagrammatic perturbation expansion of the core-electron/plasmon coupling on the spectral functions of the so-called S-model which provides an exact solution, concentrating especially on the effects of self-consistency and vertex corrections on the GW self-energy. For the S-model, self-consistency is essential for GW-like calculations to obtain the full spectral information. The second- order exchange diagram (i.e. a vertex correction) is crucial to obtain a better spectral description of the plasmon peak and side-band peaks in comparison to GW-like calculations. However, the vertex corrections are well reproduced within a non-self-consistent calculation. We also consider conventional equilibrium GW calculations for the pure jellium model. We find that with no second-order vertex correction, we cannot obtain the full set of plasmon side-band peaks. Finally, we address the issues of formal connection for the Dyson equations of the time-ordered Green's function and the Keldysh Green's functions at equilibrium in the cases of zero and finite temperature.

Keywords

Cite

@article{arxiv.1106.1094,
  title  = {GW approximations and vertex corrections on the Keldysh time-loop contour: application for model systems at equilibrium},
  author = {H. Ness and L. K. Dash and M. Stankovski and R. W. Godby},
  journal= {arXiv preprint arXiv:1106.1094},
  year   = {2011}
}

Comments

Published in PRB November 22 2011