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Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics
When molecules are coupled to an optical cavity, new light–matter hybrid states, so-called
polaritons, are formed due to quantum light–matter interactions. With the experimental …
polaritons, are formed due to quantum light–matter interactions. With the experimental …
The rise and current status of polaritonic photochemistry and photophysics
The interaction between molecular electronic transitions and electromagnetic fields can be
enlarged to the point where distinct hybrid light–matter states, polaritons, emerge. The …
enlarged to the point where distinct hybrid light–matter states, polaritons, emerge. The …
Understanding polaritonic chemistry from ab initio quantum electrodynamics
In this review, we present the theoretical foundations and first-principles frameworks to
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
describe quantum matter within quantum electrodynamics (QED) in the low-energy regime …
Theoretical challenges in polaritonic chemistry
Polaritonic chemistry exploits strong light–matter coupling between molecules and confined
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …
electromagnetic field modes to enable new chemical reactivities. In systems displaying this …
Strong coupling in chiral cavities: nonperturbative framework for enantiomer discrimination
The development of efficient techniques to distinguish mirror images of chiral molecules
(enantiomers) is very important in both chemistry and physics. Enantiomers share most …
(enantiomers) is very important in both chemistry and physics. Enantiomers share most …
Polaritonic response theory for exact and approximate wave functions
Polaritonic chemistry is an interdisciplinary emerging field that presents several challenges
and opportunities in chemistry, physics, and engineering. A systematic review of polaritonic …
and opportunities in chemistry, physics, and engineering. A systematic review of polaritonic …
Surface hop** modeling of charge and energy transfer in active environments
An active environment is any atomic or molecular system changing a chromophore's
nonadiabatic dynamics compared to the isolated molecule. The action of the environment on …
nonadiabatic dynamics compared to the isolated molecule. The action of the environment on …
Disorder enhanced vibrational entanglement and dynamics in polaritonic chemistry
Collectively coupling molecular ensembles to a cavity has been demonstrated to modify
chemical reactions akin to catalysis. Theoretically understanding this experimental finding …
chemical reactions akin to catalysis. Theoretically understanding this experimental finding …
[HTML][HTML] Non-Hermitian cavity quantum electrodynamics–configuration interaction singles approach for polaritonic structure with ab initio molecular Hamiltonians
J McTague, JJ Foley - The Journal of chemical physics, 2022 - pubs.aip.org
We combine ab initio molecular electronic Hamiltonians with a cavity quantum
electrodynamics model for dissipative photonic modes and apply mean-field theories to the …
electrodynamics model for dissipative photonic modes and apply mean-field theories to the …
Coupled cluster cavity Born–Oppenheimer approximation for electronic strong coupling
Chemical and photochemical reactivity, as well as supramolecular organization and several
other molecular properties, can be modified by strong interactions between light and matter …
other molecular properties, can be modified by strong interactions between light and matter …