Simulating Photodissociation Reactions in Bad Cavities with the Lindblad Equation

Autor: Davidsson, Eric, Kowalewski, Markus
Rok vydání: 2020
Předmět:
Zdroj: J. Chem. Phys., 153, 234304 (2020)
Druh dokumentu: Working Paper
DOI: 10.1063/5.0033773
Popis: 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.
Databáze: arXiv