A1 Journal article (refereed)
Time-linear scaling nonequilibrium Green's function methods for real-time simulations of interacting electrons and bosons. I : Formalism (2022)

Pavlyukh, Y., Perfetto, E., Karlsson, D., van Leeuwen, R., & Stefanucci, G. (2022). Time-linear scaling nonequilibrium Green's function methods for real-time simulations of interacting electrons and bosons. I : Formalism. Physical Review B, 105(12), Article 125134. https://doi.org/10.1103/PhysRevB.105.125134

JYU authors or editors

Karlsson, Daniel
Van Leeuwen, Robertus

Publication details

All authors or editors: Pavlyukh, Y.; Perfetto, E.; Karlsson, Daniel; van Leeuwen, Robert; Stefanucci, G.

Journal or series: Physical Review B

ISSN: 2469-9950

eISSN: 2469-9969

Publication year: 2022

Publication date: 28/03/2022

Volume: 105

Issue number: 12

Article number: 125134

Publisher: American Physical Society (APS)

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1103/PhysRevB.105.125134

Publication open access: Not open

Publication channel open access:

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/81598

Abstract

Simulations of interacting electrons and bosons out of equilibrium, starting from first principles and aiming at realistic multiscale scenarios, is a grand theoretical challenge. Here, using the formalism of nonequilibrium Green's functions and relying in a crucial way on the recently discovered time-linear formulation of the Kadanoff-Baym equations, we present a versatile toolbox for the simulation of correlated electron-boson dynamics. A large class of methods are available, from the Ehrenfest to the dressed GD for the treatment of electron-boson interactions in combination with perturbative, i.e., Hartree-Fock and second-Born, or nonperturbative, i.e., GW and T matrices either without or with exchange effects, for the treatment of the Coulomb interaction. In all cases the numerical scaling is linear in time and the equations of motion satisfy all fundamental conservation laws.

Keywords: quantum physics; electrons; bosons; simulation

Fields of science: