J Larson, T Mavrogordatos - 2021 - iopscience.iop.org
The Jaynes–Cummings Model (JCM) has recently been receiving increased attention as one of the simplest, yet intricately nonlinear, models of quantum physics. Emphasising the …
A Mandal, TD Krauss, P Huo - The Journal of Physical Chemistry …, 2020 - ACS Publications
We investigate the polariton-mediated electron transfer reaction in a model system with analytic rate constant theory and direct quantum dynamical simulations. We demonstrate …
A fundamental question in the field of polaritonic chemistry is whether collective coupling implies local modifications of chemical properties scaling with the ensemble size. Here we …
We present a new theoretical framework, polarized Fock states (PFSs), to describe the coupled molecule–cavity hybrid system in quantum electrodynamics. Through the quantum …
B Le Dé, S Huppert, R Spezia… - Journal of Chemical …, 2024 - ACS Publications
Excited state proton transfer is an ubiquitous phenomenon in biology and chemistry, spanning from the ultrafast reactions of photobases and acids to light-driven, enzymatic …
We use the ring polymer (RP) representation to quantize the radiation field inside an optical cavity to investigate polariton quantum dynamics. Using a charge transfer model coupled to …
Light-induced nonadiabatic phenomena arise when molecules or molecular ensembles are exposed to resonant external electromagnetic fields. The latter can either be classical laser …
Vibrational strong coupling has emerged as a promising route for manipulating the reactivity of molecules inside infrared cavities. We develop a full-quantum methodology to study the …
The coupling of a molecule and a cavity induces nonadiabaticity in the molecule which makes the description of its dynamics complicated. For polyatomic molecules, reduced …