论文标题
将激子相干长度，定位及其光学线形相关联。 I. Davydov Soliton模型的有限温度解决方案
Correlating exciton coherence length, localization, and its optical lineshape. I. a finite temperature solution of the Davydov soliton model
论文作者
论文摘要
光谱过渡的线形为系统的本地环境提供了窗口。在这里，我们提出了一种在Davydov Soliton模型的背景下（A。S. Davydov和N. I. Kislukha，Phys。Sol。Sol。{\ BF 59}，465（1973（1973）），我们提出了一种将分子激子与有限温度晶格振动联系起来的新方法。我们的结果基于对模型的数值精确，自洽的处理，其中将热效应引入了有关零温度局部孤子状态的波动。我们发现，可以通过引入临界温度以下临界温度来描述能量波动和定位，以减少降低的描述，而该温度预计会稳定。在此温度之上，将晶格失真与激子波功能相关的自一致的ansatz分解。我们的理论模型与分子j聚集的实验观察结果很好，并解决了有关甲虫状态在α-螺旋和蛋白质肽链中的有限恒温稳定性的关键问题之一。
The lineshape of spectroscopic transitions offer windows into the local environment of a system. Here, we present a novel approach for connecting the lineshape of a molecular exciton to finite-temperature lattice vibrations within the context of the Davydov soliton model (A. S. Davydov and N. I. Kislukha, Phys. Stat. Sol. {\bf 59},465(1973)). Our results are based upon a numerically exact, self-consistent treatment of the model in which thermal effects are introduced as fluctuations about the zero-temperature localized soliton state. We find that both the energy fluctuations and the localization can be described in terms of a parameter-free, reduced description by introducing a critical temperature below which exciton self-trapping is expected to be stable. Above this temperature, the self-consistent ansatz relating the lattice distortion to the exciton wavefunction breaks down. Our theoretical model coorelates well with both experimental observations on molecular J-aggregate and resolves one of the critical issues concerning the finite temperture stability of soliton states in alpha-helices and protein peptide chains.
