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Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density

Thoss, Michael, Wang, Haobin, Miller, William H.·2001·The Journal of Chemical Physics

Abstract

The self-consistent hybrid approach [H. Wang, M. Thoss, and W. H. Miller, J. Chem. Phys. 115, 2979 (2001), preceding paper] is applied to the spin-boson problem with Debye spectral density as a model for electron-transfer reactions in a solvent exhibiting Debye dielectric relaxation. The population dynamics of the donor and acceptor states in this system is studied for a broad range of parameters, including the adiabatic (slow bath), nonadiabatic (fast bath), as well as the intermediate regime. Based on illustrative examples we discuss the transition from damped coherent dynamics to purely incoherent decay. Using the numerically exact results of the self-consistent hybrid approach as a benchmark, several approximate theories that have been widely used to describe the dynamics in the spin-boson model are tested: the noninteracting blip approximation, the Bloch–Redfield theory, the Smoluchowski-equation treatment of the reaction coordinate (Zusman equations), and the classical path approach (Ehrenfest model). The parameter range where the different methods are applicable are discussed in some detail.

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Metadata

Authors
Thoss, M., Wang, H., & Miller, W. H.
Venue
The Journal of Chemical Physics
Published
2001-08-15
Volume
115
Issue
7
Pages
2991-3005
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
OpenAlex
W2059291018
Cited by
260
References
78
FWCI
6.60
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density. https://app.cochat.ai/papers/10.1063/1.1385562
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Thoss, M., Wang, H., & Miller, W. H. (2001). Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density. The Journal of Chemical Physics. https://doi.org/10.1063/1.1385562

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