Simulating Photodissociation Reactions in Bad Cavities with the Lindblad Equation

Abstract

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.

References in corpus (3)

• Exciton-polariton condensates
• Cavity QED with a Bose-Einstein condensate
• Strong coupling with light enhances the photoisomerization quantum yield of azobenzene

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• Coupling Polyatomic Molecules to Lossy Nanocavities: Lindblad versus Schrödinger description
• Simple but accurate estimation of light-matter coupling strength and optical loss for a molecular emitter coupled with photonic modes
• Extending the Tavis-Cummings model for molecular ensembles -- Exploring the effects of dipole self energies and static dipole moments
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• Understanding polaritonic chemistry from ab initio quantum electrodynamics
• Quantum thermodynamics of periodically driven polaritonic systems
• Impact of dipole self-energy on cavity-induced nonadiabatic dynamics
• Practical guide to the statistical mechanics of molecular polaritons
• Indirect probing of light-induced nonadiabatic dynamics in lossy nanocavities