2013
DOI: 10.1063/1.4798221
|View full text |Cite
|
Sign up to set email alerts
|

Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation

Abstract: Mixed quantum-classical methods provide powerful algorithms for the simulation of quantum processes in large and complex systems. The forward-backward trajectory solution of the mixed quantum-classical Liouville equation in the mapping basis [C.-Y. Hsieh and R. Kapral, J. Chem. Phys. 137, 22A507 (2012)] is one such scheme. It simulates the dynamics via the propagation of forward and backward trajectories of quantum coherent state variables, and the propagation of bath trajectories on a mean-field potential det… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
2
1
1
1

Citation Types

4
141
0

Year Published

2013
2013
2020
2020

Publication Types

Select...
6
1

Relationship

1
6

Authors

Journals

citations
Cited by 76 publications
(145 citation statements)
references
References 39 publications
4
141
0
Order By: Relevance
“…This overdamping is consistent with that observed in previous FBTS and PLDM results in similar regimes [9,40]. The MF-GQME results are in quantitative agreement at low nonadiabaticity, and even at the highest nonadiabaticity exhibit only a very subtle phase shift relative to the exact results.…”
Section: Resultssupporting
confidence: 80%
See 2 more Smart Citations
“…This overdamping is consistent with that observed in previous FBTS and PLDM results in similar regimes [9,40]. The MF-GQME results are in quantitative agreement at low nonadiabaticity, and even at the highest nonadiabaticity exhibit only a very subtle phase shift relative to the exact results.…”
Section: Resultssupporting
confidence: 80%
“…Since it is now possible to generate numerically exact results in many of the parameter regimes of the spin-boson model, it provides an ideal benchmark test case for the accuracy and efficiency of approximate nonadiabatic dynamics approaches. In particular we compare our MF-GQME approach to a direct MFT treatment, as well as to the recently introduced FBTS method [8,9] which has been shown to outperform fully linearized methods at marginal extra computational cost.…”
Section: Resultsmentioning
confidence: 99%
See 1 more Smart Citation
“…(41)] to different orders in we find different semiclassical and quasiclassical methods emerge. Although these methods have been very successful at investigating non-adiabatic systems, [19,[23][24][25][26][27][28][29][30]49] and provide ways to systematically improve the dynamics [50], truncation to finite powers in does not generally mean that the error in the overall correlation function scales as O( ). [47] In addition, the dynamics does not normally conserve the quantum Boltzmann distribution, which can lead to spurious effects in numerical simulations [51].…”
Section: Approximate Evolutionmentioning
confidence: 99%
“…Originally proposed by Meyer and Miller [15,16], this mapping was shown to be exact by Stock and Thoss [17,18] and has been developed using various semiclassical [19][20][21], quasiclassical [22], (partially) linearized [23][24][25][26][27][28][29][30], and path integral [31][32][33][34] techniques.…”
Section: Introductionmentioning
confidence: 99%