Iterative path-integral algorithm versus cumulant time-nonlocal master equation approach for dissipative biomolecular exciton transport

被引:79
作者
Nalbach, Peter [1 ]
Ishizaki, Akihito
Fleming, Graham R.
Thorwart, Michael [1 ]
机构
[1] Univ Hamburg, Inst Theoret Phys 1, D-20355 Hamburg, Germany
来源
NEW JOURNAL OF PHYSICS | 2011年 / 13卷
关键词
REDUCED DENSITY-MATRICES; QUANTUM COHERENCE; ENERGY-TRANSFER; TENSOR PROPAGATOR; EVOLUTION; DYNAMICS; SYSTEM; COMPLEX;
D O I
10.1088/1367-2630/13/6/063040
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We determine the real-time quantum dynamics of a biomolecular donor-acceptor system in order to describe excitonic energy transfer in the presence of slow environmental Gaussian fluctuations. For this, we compare two different approaches. On the one hand, we use the numerically exact iterative quasi-adiabatic propagator path-integral scheme that incorporates all non-Markovian contributions. On the other, we apply the second-order cumulant time-nonlocal quantum master equation that includes non-Markovian effects. We show that both approaches yield coinciding results in the relevant crossover regime from weak to strong electronic couplings, displaying coherent as well as incoherent transitions.
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页数:13
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