标题： 改进的缩放分层运动方程方法用于研究光合复合物中的量子相干性 显示英文标题

标题： Modified-scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes

摘要： 我们对通过Fenna-Matthews-Olson（FMO）色素-蛋白质复合物传递电子激发能量进行了详细的理论研究，使用了新开发的改进型缩放层次方法[Shi Q.等，J Chem Phys 2009, 130, 084105]。我们表明，这种方法在计算上比原始层次方法更高效。改进的方法减少了辅助密度算符和关联函数的截断级别。我们系统地研究了辅助密度算符的数量和高阶关联函数如何影响激子动力学。相干振荡的时间尺度与实验观察结果一致。此外，我们的理论结果在生理温度下表现出布居振荡。此外，该方法不需要低温校正即可在长时间内获得正确的热平衡。 显示英文摘要

摘要： We present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna-Matthews-Olson (FMO) pigment-protein complex, using the new developed modified scaled hierarchical approach [Shi Q. et al, J Chem Phys 2009, 130, 084105]. We show that this approach is computationally more efficient than the original hierarchical approach. The modified approach reduces the truncation levels of the auxiliary density operators and the correlation function. We provide a systematic study of how the number of auxiliary density operators and the higher-order correlation functions affect the exciton dynamics. The time scales of the coherent beating are consistent with experimental observations. Furthermore, our theoretical results exhibit population beating at physiological temperature. Additionally, the method does not require a low-temperature correction to obtain the correct thermal equilibrium at long times.