A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
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-tekijät tai -toimittajat

Karlsson, Daniel
Van Leeuwen, Robertus

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Pavlyukh, Y.; Perfetto, E.; Karlsson, Daniel; van Leeuwen, Robert; Stefanucci, G.

Lehti tai sarja: Physical Review B

ISSN: 2469-9950

eISSN: 2469-9969

Julkaisuvuosi: 2022

Ilmestymispäivä: 28.03.2022

Volyymi: 105

Lehden numero: 12

Artikkelinumero: 125134

Kustantaja: American Physical Society (APS)

Julkaisumaa: Yhdysvallat (USA)

Julkaisun kieli: englanti

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

Julkaisun avoin saatavuus: Ei avoin

Julkaisukanavan avoin saatavuus:

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/81598

Tiivistelmä

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.

YSO-asiasanat: kvanttifysiikka; elektronit; bosonit; simulointi

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