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On the memory kernel and the reduced system propagator.

Lyran Kidon1, Haobin Wang2, Michael Thoss3

  • 1Department of Chemistry, University of California, Berkeley, California 94720, USA.

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|September 17, 2018
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Summary
This summary is machine-generated.

This study connects the memory kernel in the Nakajima-Zwanzig-Mori approach to the reduced system propagator used in the Tokuyama-Mori approach. This simplifies calculating the memory kernel for complex system-bath models.

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Area of Science:

  • Theoretical chemistry
  • Condensed matter physics
  • Quantum dynamics

Background:

  • The Nakajima-Zwanzig-Mori (NZM) and Tokuyama-Mori (TM) approaches are established methods for describing open quantum systems.
  • Calculating the memory kernel is crucial for both formalisms but can be computationally demanding.
  • Existing methods often require high-order system-bath observables, limiting their applicability.

Purpose of the Study:

  • To establish a direct relationship between the memory kernel in the NZM approach and the reduced system propagator in the TM approach.
  • To develop a simplified and robust formalism for computing the memory kernel.
  • To facilitate the use of numerically exact solvers for memory kernel calculations.

Main Methods:

  • Relating the memory kernel of the NZM approach to the reduced system propagator of the TM approach.
  • Developing a generalized system-bath model.
  • Applying the formalism to a model system with electron-electron and electron-phonon couplings.

Main Results:

  • A direct connection between the NZM memory kernel and the TM reduced system propagator was established.
  • The proposed formalism simplifies the computation of the memory kernel.
  • The method circumvents the need for high-order system-bath observables.

Conclusions:

  • The established connection offers a robust and straightforward method for memory kernel computation.
  • This work streamlines the application of numerically exact solvers for complex quantum systems.
  • The findings are demonstrated for a driven, non-equilibrium model system with significant couplings.