强耦合电子光子动力学:分子极化子能量再分配的实时研究

Matteo Castagnola, Marcus T. Lexander, Enrico Ronca, Henrik Koch
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引用次数: 0

摘要

我们利用实时量子电动力学耦合簇模型分析了长程和短程能量传递中的实时电子-光子动力学,该模型可实现传输过程的空间和时间可视化。我们计算了短激光脉冲激发系统后光子和分子观测值(如偶极矩和光子坐标)的时间演化。模拟结果表明,与未穿衣服的分子相比,分子间相互作用和光-物质强耦合会导致电子极化的改变。所开发的方法可以模拟多个高强度激光脉冲,同时明确保留电子和电子光子相关性,因此适用于分子极化子的非线性光学和瞬态吸收光谱。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Strong coupling electron-photon dynamics: A real-time investigation of energy redistribution in molecular polaritons

Strong coupling electron-photon dynamics: A real-time investigation of energy redistribution in molecular polaritons
We analyze the real-time electron-photon dynamics in long- and short-range energy transfer using a real-time quantum electrodynamics coupled cluster model, which allows for spatial and temporal visualization of transport processes. We compute the time evolution of photonic and molecular observables, such as the dipole moment and the photon coordinate, following the excitation of the system induced by short laser pulses. Our simulations show that intermolecular interactions and light-matter strong coupling lead to modified electronic polarization compared to the undressed molecules. The developed method can simulate multiple high-intensity laser pulses while explicitly retaining electronic and electron-photon correlation and is thus suited for nonlinear optics and transient absorption spectroscopies of molecular polaritons.
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CiteScore
8.60
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