Unraveling a Cavity-Induced Molecular Polarization Mechanism from Collective Vibrational Strong Coupling
We demonstrate that collective vibrational strong coupling of molecules in thermal
equilibrium can give rise to significant local electronic polarizations in the thermodynamic …
equilibrium can give rise to significant local electronic polarizations in the thermodynamic …
Non-equilibrium rate theory for polariton relaxation dynamics
We derive an analytic expression of the non-equilibrium Fermi's golden rule (NE-FGR)
expression for a Holstein–Tavis–Cumming Hamiltonian, a universal model for many …
expression for a Holstein–Tavis–Cumming Hamiltonian, a universal model for many …
Impact of Cavity Length Non-uniformity on Reaction Rate Extraction in Strong Coupling Experiments
Reports of altered chemical phenomena under vibrational strong coupling, including
reaction rates, product distributions, intermolecular forces, and cavity-mediated vibrational …
reaction rates, product distributions, intermolecular forces, and cavity-mediated vibrational …
Revisiting cavity-coupled 2DIR: A classical approach implicates reservoir modes
Significant debate surrounds the origin of nonlinear optical responses from cavity-coupled
molecular vibrations. Several groups, including our own, have previously assigned portions …
molecular vibrations. Several groups, including our own, have previously assigned portions …
Cavity induced modulation of intramolecular vibrational energy flow pathways
Recent experiments in polariton chemistry indicate that reaction rates can be significantly
enhanced or suppressed inside an optical cavity. One possible explanation for the rate …
enhanced or suppressed inside an optical cavity. One possible explanation for the rate …
Simulating anharmonic vibrational polaritons beyond the long wavelength approximation
In this work, we investigate anharmonic vibrational polaritons formed due to strong light–
matter interactions in an optical cavity between radiation modes and anharmonic vibrations …
matter interactions in an optical cavity between radiation modes and anharmonic vibrations …
Theory of Resonance Suppression in Vibrational Polariton Chemistry
Recent experiments have demonstrated that it is possible to modify ground-state chemical
reactivities by placing an ensemble of molecules in an optical microcavity through resonant …
reactivities by placing an ensemble of molecules in an optical microcavity through resonant …
A theoretical chemistry approach to vibro-polaritonic chemistry with application to infrared spectroscopy and reaction kinetics
EW Fischer, P Saalfrank - 2024 - books.rsc.org
The emerging interdisciplinary research field of vibro-polaritonic chemistry exploits the
concept of vibrational strong coupling (VSC) to shape chemical reactivity and molecular …
concept of vibrational strong coupling (VSC) to shape chemical reactivity and molecular …
Electronic orbital responses of extended systems to static, homogeneous, electromagnetic fields
M Springborg, B Kirtman - 2024 - books.rsc.org
We discuss theoretical methods with which the effects of static, homogenous,
electromagnetic fields can be determined for systems that are extended and in the ultimate …
electromagnetic fields can be determined for systems that are extended and in the ultimate …