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Limits of exciton delocalization in molecular aggregates.
Faraday Discussions ( IF 3.3 ) Pub Date : 2019-12-16 , DOI: 10.1039/c9fd00064j Gregory D Scholes 1
Faraday Discussions ( IF 3.3 ) Pub Date : 2019-12-16 , DOI: 10.1039/c9fd00064j Gregory D Scholes 1
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Exciton states of molecular aggregates, with a particular focus on delocalization length, are discussed. Despite the huge number of studies of molecular excitons, it is argued that there remain interesting open questions. It is hypothesized that limits for equilibrium delocalization length are generally in the range of tens of molecules, even at very low temperatures. Effects that limit delocalization include: phase disorder from wave-zone electronic coupling, polarization fluctuations, and the extreme sensitivity of perfect delocalization to disorder as the size of the molecular aggregate increases. To gain physical insight, the inverse participation ratio is compared to the order parameter for a classical system of coupled, and hence entrained, oscillators-the Kuramoto model. The main result of the paper is that the inverse participation ratio obtained from the quantum mechanical exciton model and the Kuramoto order parameter obtained from coupled classical oscillators estimate the same coherence length. Conclusions suggest discussion topics that touch on limits of delocalization, quantum-to-classical transitions in molecular exciton systems, and whether excitons are good prospects for exploring and exploiting quantum information resources from coherence.
中文翻译：
分子聚集体中激子离域的限制。
讨论了分子聚集体的激子态，特别关注离域长度。尽管对分子激子的研究很多，但仍存在一些有趣的开放性问题。假设即使在非常低的温度下，平衡离域长度的极限通常在数十个分子的范围内。限制离域的影响包括：来自波带电子耦合的相位紊乱，极化波动以及随着分子聚集体尺寸的增加，完美离域对紊乱的极端敏感性。为了获得物理洞察力，将反向参与比与耦合并因此带动的经典振荡器系统Kuramoto模型的阶数参数进行比较。本文的主要结果是，从量子力学激子模型获得的逆参与比和从耦合经典振荡器获得的仓本阶参数估计出相同的相干长度。结论提出了一些讨论话题，涉及到离域限制，分子激子系统中量子到经典跃迁的限制，以及激子是否是从相干性出发探索和开发量子信息资源的良好前景。
更新日期：2019-12-17
中文翻译：
分子聚集体中激子离域的限制。
讨论了分子聚集体的激子态，特别关注离域长度。尽管对分子激子的研究很多，但仍存在一些有趣的开放性问题。假设即使在非常低的温度下，平衡离域长度的极限通常在数十个分子的范围内。限制离域的影响包括：来自波带电子耦合的相位紊乱，极化波动以及随着分子聚集体尺寸的增加，完美离域对紊乱的极端敏感性。为了获得物理洞察力，将反向参与比与耦合并因此带动的经典振荡器系统Kuramoto模型的阶数参数进行比较。本文的主要结果是，从量子力学激子模型获得的逆参与比和从耦合经典振荡器获得的仓本阶参数估计出相同的相干长度。结论提出了一些讨论话题，涉及到离域限制，分子激子系统中量子到经典跃迁的限制，以及激子是否是从相干性出发探索和开发量子信息资源的良好前景。
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