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On the memory kernel and the reduced system propagator.
Kidon, Lyran; Wang, Haobin; Thoss, Michael; Rabani, Eran.
Afiliação
  • Kidon L; Department of Chemistry, University of California, Berkeley, California 94720, USA.
  • Wang H; Department of Chemistry, University of Colorado Denver, Denver, Colorado 80217-3364, USA.
  • Thoss M; Institute of Physics, University of Freiburg, Hermann-Herder-Strasse 3, 79104 Freiburg, Germany.
  • Rabani E; Department of Chemistry, University of California, Berkeley, California 94720, USA.
J Chem Phys ; 149(10): 104105, 2018 Sep 14.
Article em En | MEDLINE | ID: mdl-30219023
ABSTRACT
We relate the memory kernel in the Nakajima-Zwanzig-Mori time-convolution approach to the reduced system propagator which is often used to obtain the kernel in the Tokuyama-Mori time-convolutionless approach. The connection provides a robust and simple formalism to compute the memory kernel for a generalized system-bath model circumventing the need to compute high order system-bath observables, thus streamlining the use of numerically exact solvers for calculating the memory kernel. We illustrate this for a model system with electron-electron and electron-phonon couplings, driven away from equilibrium.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Ano de publicação: 2018 Tipo de documento: Article