English

Non-linear response in the cumulant expansion for core hole photoemission

Strongly Correlated Electrons 2020-08-05 v1 Other Condensed Matter

Abstract

Most currently used approximations for the one-particle Green's function G in the framework of many-body perturbation theory, such as Hedin's GW approximation or the cumulant GW+C approach, are based on a linear response approximation for the screened interaction W. The extent to which such a hypothesis is valid and ways to go beyond have been explored only very little. Here we show how to derive a cumulant Green's function beyond linear-response from the equation of motion of the Green's function in a functional derivative formulation. The results can be written in a compact form, which opens the possibility to calculate the corrections in a first principles framework using time-dependent density functional theory. In order to illustrate the potential importance of the corrections, numerical results are presented for a model system with a core level and two valence orbitals.

Cite

@article{arxiv.2005.01857,
  title  = {Non-linear response in the cumulant expansion for core hole photoemission},
  author = {Marilena Tzavala and Joshua J. Kas and Lucia Reining and John J. Rehr},
  journal= {arXiv preprint arXiv:2005.01857},
  year   = {2020}
}

Comments

9 pages, 1 figure