用林德布拉德方程模拟坏腔中的光解反应
Simulating Photodissociation Reactions in Bad Cavities with the Lindblad Equation
摘要:
光学腔,例如在有机极化激元实验中使用的光学腔,通常采用低精细度反射镜或等离子体结构。在这些设置中的光子寿命与控制光化学的核动力学的时间尺度相当。这突出了在分子模拟中包括耗散效应的必要性。在本研究中,我们利用Lindblad主方程的波包动力学方法,研究了有限光子寿命对MgH $^+$分子模型系统解离的影响。光子寿命的几个不同的数量级被认为包括一个充分的范围内固有的损耗腔的影响。
英文摘要:
Optical cavities, e.g. as used in organic polariton experiments, often employ low finesse mirrors or plasmonic structures. The photon lifetime in these setups is comparable to the timescale of the nuclear dynamics governing the photochemistry. This highlights the need for including the effect of dissipation in the molecular simulations. In this study, we perform wave packet dynamics with the Lindblad master equation, to study the effect of a finite photon lifetime on the dissociation of the MgH$^+$ molecule model system. Photon lifetimes of several different orders of magnitude are considered to encompass an ample range of effects inherent to lossy cavities.
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