通过振动电子共振实现的陷阱介导能量输运
Trap Mediated Energy Transport via Vibronic Resonance
AI总结：
针对扩展体系振动精确处理成本高、难揭示能量输运相关振动机制的问题，提出激子耦合聚集体的有效简正模式方法，将高维哈密顿量降为独立一维哈密顿量，在三聚体模型中验证了振动电子共振下陷阱介导的能量输运并揭示相关振动机制。
摘要：
通过振动电子共振调控能量转移是一种颇具吸引力的可行思路。要充分把握非绝热振动电子耦合在驱动能量转移中的作用，必须对其进行精确处理。然而，在扩展体系中精确处理振动过程计算成本极高，有时需要采用过度简化的近似来降低振动维度，且无法揭示哪些特定振动运动可推动能量输运的物理机制。本文针对激子耦合的聚集体推导了有效简正模式，可将整体高维振动电子哈密顿量简化为多个独立的一维哈密顿量。将该方法应用于三聚体玩具模型，我们证实了电子无耦合位点之间可发生陷阱介导的能量输运。使无耦合位点达到振动电子共振状态，可将“陷阱”转化为布居转移的“通道”，同时最大限度减少被捕获的激子。沿聚集体简正模式可视化能量转移过程，为理解哪些特定振动运动通过促进振动电子混合实现陷阱介导能量输运提供了反直觉的新见解。
英文摘要：
Controlling energy transfer through vibronic resonance is an interesting possibility. Exact treatment of non-adiabatic vibronic coupling is necessary to fully capture its role in driving energy transfer. However, exact treatment of vibrations in extended systems is expensive, sometimes requiring oversimplifying approximations to reduce vibrational dimensionality, and do not provide physical insights into which specific vibrational motions promote energy transport. Here we derive effective normal modes for excitonically coupled aggregates which reduce the overall high-dimensional vibronic Hamiltonian into independent one-dimensional Hamiltonians. Applying this approach on a trimer toy model, we demonstrate trap-mediated energy transport between electronically uncoupled sites. Bringing uncoupled sites into vibronic resonance converts the `trap' into a `conduit' for population transfer, while simultaneously minimizing trapped excitations. Visualizing energy transfer along the aggregate normal modes provides non-intuitive insights into which specific vibrational motions allow for trap-mediated energy transport by promoting vibronic mixing.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
