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On the memory kernel and the reduced system propagator.
J Chem Phys ; 149(10): 104105, 2018 Sep 14.
Artigo em Inglês | 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.

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Texto completo: Disponível Coleções: Bases de dados internacionais Base de dados: MEDLINE Idioma: Inglês Revista: J Chem Phys Ano de publicação: 2018 Tipo de documento: Artigo País de afiliação: Estados Unidos