- Letter
Interacting electrons and bosons in the doubly screened approximation: A time-linear scaling method for first-principles simulations
Phys. Rev. B 106, L201408 – Published 30 November, 2022
DOI: https://doi.org/10.1103/PhysRevB.106.L201408
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 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.