The Nakajima–Zwanzig generalized quantum master equation provides a general, and formally exact, prescription for simulating the reduced dynamics of a quantum system coupled to a quantum bath. In this equation, the memory kernel accounts for the influence of the bath on the system’s dynamics. The standard approach is based on using a perturbative treatment of the system–bath coupling for calculating this kernel, and is therefore restricted to systems weakly coupled to the bath. In this paper, we propose a new approach for calculating the memory kernel for an arbitrary system–bath coupling. The memory kernel is obtained by solving a set of two coupled integral equations that relate it to a new type of two-time system-dependent bath correlation functions. The feasibility of the method is demonstrated in the case of an asymetrical two-level system linearly coupled to a harmonic bath.
Skip Nav Destination
,
Article navigation
15 December 2003
Research Article|
December 15 2003
A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling
Qiang Shi;
Qiang Shi
Department of Chemistry and the FOCUS Center, University of Michigan, Ann Arbor, Michigan 48109-1055
Search for other works by this author on:
Eitan Geva
Eitan Geva
Department of Chemistry and the FOCUS Center, University of Michigan, Ann Arbor, Michigan 48109-1055
Search for other works by this author on:
Qiang Shi
Eitan Geva
Department of Chemistry and the FOCUS Center, University of Michigan, Ann Arbor, Michigan 48109-1055
J. Chem. Phys. 119, 12063–12076 (2003)
Article history
Received:
July 17 2003
Accepted:
September 19 2003
Citation
Qiang Shi, Eitan Geva; A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling. J. Chem. Phys. 15 December 2003; 119 (23): 12063–12076. https://doi.org/10.1063/1.1624830
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Related Content
A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism
J. Chem. Phys. (August 2004)
A theoretical investigation of electric properties of L -arginine phosphate monohydrate including environment polarization effects
J. Chem. Phys. (October 2010)
Adaptive local refinement of the electron density, one-particle density matrices, and electron orbitals by hierarchical wavelet decomposition
J. Chem. Phys. (October 2005)