Theoretical advances in polariton chemistry and molecular cavity quantum electrodynamics

A Mandal, MAD Taylor, BM Weight… - Chemical …, 2023 - ACS Publications
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 …

Understanding polaritonic chemistry from ab initio quantum electrodynamics

M Ruggenthaler, D Sidler, A Rubio - Chemical Reviews, 2023 - ACS Publications
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 …

Molecular polaritonics: Chemical dynamics under strong light–matter coupling

TE Li, B Cui, JE Subotnik, A Nitzan - Annual review of physical …, 2022 - annualreviews.org
Chemical manifestations of strong light–matter coupling have recently been a subject of
intense experimental and theoretical studies. Here we review the present status of this field …

Polariton panorama

DN Basov, A Asenjo-Garcia, PJ Schuck, X Zhu… - …, 2020 - degruyter.com
In this brief review, we summarize and elaborate on some of the nomenclature of polaritonic
phenomena and systems as they appear in the literature on quantum materials and …

Cavity frequency-dependent theory for vibrational polariton chemistry

X Li, A Mandal, P Huo - Nature communications, 2021 - nature.com
Recent experiments demonstrate the control of chemical reactivities by coupling molecules
inside an optical microcavity. In contrast, transition state theory predicts no change of the …

[图书][B] The Jaynes–Cummings model and its descendants: modern research directions

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 …

Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity

C Schäfer, J Flick, E Ronca, P Narang… - Nature …, 2022 - nature.com
Strong light–matter interaction in cavity environments is emerging as a promising approach
to control chemical reactions in a non-intrusive and efficient manner. The underlying …

Cavity born–oppenheimer hartree–fock ansatz: Light–matter properties of strongly coupled molecular ensembles

T Schnappinger, D Sidler, M Ruggenthaler… - The Journal of …, 2023 - ACS Publications
Experimental studies indicate that optical cavities can affect chemical reactions through
either vibrational or electronic strong coupling and the quantized cavity modes. However …

Swinging between shine and shadow: Theoretical advances on thermally activated vibropolaritonic chemistry

JA Campos-Gonzalez-Angulo, YR Poh, M Du… - The Journal of …, 2023 - pubs.aip.org
Polariton chemistry has emerged as an appealing branch of synthetic chemistry that
promises mode selectivity and a cleaner approach to kinetic control. Of particular interest are …

Intermolecular interactions in optical cavities: An ab initio QED study

TS Haugland, C Schäfer, E Ronca, A Rubio… - The Journal of …, 2021 - pubs.aip.org
Intermolecular bonds are weak compared to covalent bonds, but they are strong enough to
influence the properties of large molecular systems. In this work, we investigate how strong …