CHAPTER 10. Quantum-Classical Liouville Dynamics of Condensed Phase Quantum Processes

Hanna, Gabriel; Kapral, Raymond

doi:10.1039/9781849737753-00233

Cited by 2 publications

(1 citation statement)

References 61 publications

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“…The resulting equation of motion is commonly known as the quantum-classical Liouville equation (QCLE) [49][50][51][52][53][54][55][56][57][58][59][60][61]. The QCLE has been used to study a wide variety of problems [62][63][64][65][66][67][68][69][70][71][72][73][74][75][76] and a number of in-depth reviews on the basic formulation of the theory exist [77][78][79][80][81][82][83][84][85][86][87][88][89][90]. The mathematical structure underlying the QCLE is dictated by a quasi-Lie bracket [43,44,91,92].…”

Section: Introductionmentioning

confidence: 99%

Quasi-Lie Brackets and the Breaking of Time-Translation Symmetry for Quantum Systems Embedded in Classical Baths

et al. 2018

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Many open quantum systems encountered in both natural and synthetic situations are embedded in classical-like baths. Often, the bath degrees of freedom may be represented in terms of canonically conjugate coordinates, but in some cases they may require a noncanonical or non-Hamiltonian representation. Herein, we review an approach to the dynamics and statistical mechanics of quantum subsystems embedded in either non-canonical or non-Hamiltonian classical-like baths which is based on operator-valued quasi-probability functions. These functions typically evolve through the action of quasi-Lie brackets and their associated Quantum-Classical Liouville Equations. * asergi@unime.it †

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Section: Introductionmentioning

confidence: 99%

Quasi-Lie Brackets and the Breaking of Time-Translation Symmetry for Quantum Systems Embedded in Classical Baths

et al. 2018

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Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics

Zhou

2016

The Journal of Chemical Physics

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In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved sampling scheme is developed in this work for FGA-SH based on birth and death branching processes. The algorithm is validated for the standard test examples of non-adiabatic dynamics.

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CHAPTER 10. Quantum-Classical Liouville Dynamics of Condensed Phase Quantum Processes

Cited by 2 publications

References 61 publications

Quasi-Lie Brackets and the Breaking of Time-Translation Symmetry for Quantum Systems Embedded in Classical Baths

Quasi-Lie Brackets and the Breaking of Time-Translation Symmetry for Quantum Systems Embedded in Classical Baths

Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics

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