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


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Publication details

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

Journal or seriesPhysical Review B

ISSN2469-9950

eISSN2469-9969

Publication year2022

Publication date28/03/2022

Volume105

Issue number12

Article number125134

PublisherAmerican Physical Society (APS)

Publication countryUnited States

Publication languageEnglish

DOIhttps://doi.org/10.1103/PhysRevB.105.125134

Publication open accessNot 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.


Keywordsquantum physicselectronsbosonssimulation


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Ministry reportingYes

VIRTA submission year2022

JUFO rating2


Last updated on 2024-12-10 at 13:15