论文标题

模型光合作用反应中心中的相干激发能传递:非马克维亚量子环境的影响

Coherent excitation energy transfer in model photosynthetic reaction center: Effects of non-Markovian quantum environment

论文作者

Fang, Jie, Chen, Zi-Hao, Su, Yu, Zhu, Zi-Fan, Wang, Yao, Xu, Rui-Xue, Yan, YiJing

论文摘要

激发能传递(EET)和电子转移(ET)至关重要地参与光合过程。实际上,光合反应中心构成了EET和ET的开放量子系统,它表现出颜料,太阳能和声子浴的相互作用。到目前为止,理论研究主要基于马尔可夫条件下的主方程方法。可能发挥至关重要的作用的非马克维亚环境效应尚未得到充分考虑。在这项工作中,我们提出了一种混合动态方法来研究该开放系统。声子浴的影响通过精确的耗散运动方程(DEOM)处理,而光子浴的影响是通过Lindblad Master方程。具体而言,我们探讨了非马克维亚量子声子浴对相干传递动力学及其对当前电压行为的操纵的影响。与完全马尔可夫·林德布拉德方程的结果和采用经典环境描述的结果区别,混合的deom-lindblad模拟表现出传递连贯的连贯性,高达几百个飞秒,以及相关的环境操纵对当前的效果。这些非马克维亚量子相干效应是扩展的pomore复合和逼真的系统,并有助于有机光伏设备的设计。

Excitation energy transfer (EET) and electron transfer (ET) are crucially involved in photosynthetic processes. In reality, the photosynthetic reaction center constitutes an open quantum system of EET and ET, which manifests an interplay of pigments, solar light and phonon baths. So far theoretical studies have been mainly based on master equation approaches in the Markovian condition. The non-Markovian environmental effect, which may play a crucial role, has not been sufficiently considered. In this work, we propose a mixed dynamic approach to investigate this open system. The influence of phonon bath is treated via the exact dissipaton equation of motion (DEOM) while that of photon bath is via the Lindblad master equation. Specifically, we explore the effect of non-Markovian quantum phonon bath on the coherent transfer dynamics and its manipulation on the current-voltage behavior. Distinguished from the results of completely Markovian Lindblad equation and those adopting classical environment description, the mixed DEOM-Lindblad simulations exhibit transfer coherence up to a few hundreds femtoseconds and the related environmental manipulation effect on current. These non-Markovian quantum coherent effects be extended tomore complex and realistic systems and be helpful to the design of organic photovoltaic devices.

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