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On the memory kernel and the reduced system propagator.

Lyran KidonHaobin WangMichael ThossEran Rabani
Published in: The Journal of chemical physics (2018)
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.
Keyphrases
  • working memory
  • solar cells
  • molecular dynamics
  • electron transfer