Davidsson Eric, Kowalewski Markus
Department of Physics, Stockholm University, Albanova University Center, SE-106 91 Stockholm, Sweden.
J Chem Phys. 2020 Dec 21;153(23):234304. doi: 10.1063/5.0033773.
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.
光学腔，例如在有机极化激元实验中使用的光学腔，通常采用低精细度镜子或等离子体结构。在这些装置中，光子寿命与控制光化学的核动力学时间尺度相当。这凸显了在分子模拟中纳入耗散效应的必要性。在本研究中，我们用林德布拉德主方程进行波包动力学，以研究有限光子寿命对MgH分子模型系统解离的影响。考虑了几个不同数量级的光子寿命，以涵盖有损腔固有的广泛效应。
