Interacting electrons and bosons in the doubly screened $G\widetilde{W}$ approximation: A time-linear scaling method for first-principles simulations
Abstract
We augment the time-linear formulation of the Kadanoff-Baym equations for systems of interacting electrons and quantized phonons or photons with the approximation, the Coulomb interaction being dynamically screened by both electron-hole pairs {\em and} bosonic particles. We also show how to combine different approximations to include simultaneously multiple correlation effects in the dynamics. The final outcome is a versatile framework comprising distinct diagrammatic methods, each scaling linearly in time and preserving all fundamental conservation laws. The dramatic improvement over current state-of-the-art approximations brought about by is demonstrated in a study of the correlation-induced charge migration of the glycine molecule in an optical cavity.
Keywords
Cite
@article{arxiv.2203.08083,
title = {Interacting electrons and bosons in the doubly screened $G\widetilde{W}$ approximation: A time-linear scaling method for first-principles simulations},
author = {Yaroslav Pavlyukh and Enrico Perfetto and Gianluca Stefanucci},
journal= {arXiv preprint arXiv:2203.08083},
year = {2022}
}
Comments
10 pages, 4 figures, 2 tables