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We present a microscopic theory that aims to explain the vibrational strong coupling (VSC) modified reaction rate constant. The analytic theory is based on a mechanistic conjecture that cavity modes promote the transition from the ground…

Quantum Physics · Physics 2023-05-16 Wenxiang Ying , Michael A. D. Taylor , Pengfei Huo

In this Letter we analyze theoretically how the emergence of collective strong coupling between vibrational excitations and confined cavity modes affects Raman scattering processes. This work is motivated by recent experiments [Shalabney et…

Mesoscale and Nanoscale Physics · Physics 2016-11-10 Javier del Pino , Johannes Feist , F. J. García-Vidal

Confined electromagnetic modes strongly couple to collective excitations in ensembles of quantum emitters, producing light-matter hybrid states known as polaritons. Under such conditions, the discrete multilevel spectrum of molecular…

Quantum Physics · Physics 2022-06-01 Jorge A. Campos-Gonzalez-Angulo , Joel Yuen-Zhou

We demonstrate a new type of transition within the strong coupling regime, which alters the coupling mechanism in multimode cavities. We show that this transition drastically modifies the Hamiltonian describing the polaritons, such that…

Mesoscale and Nanoscale Physics · Physics 2021-06-16 M. Balasubrahmaniyam , C. Genet , T. Schwartz

Strong coupling of molecular vibrations to an infrared cavity mode affects their nature by creating dressed polariton states. We show how the single and double vibrational polariton manifolds may be controlled by varying the cavity coupling…

Quantum Physics · Physics 2016-05-10 Prasoon Saurabh , Shaul Mukamel

Molecules constitute compact hybrid quantum optical systems that can interface photons, electronic degrees of freedom, localized mechanical vibrations and phonons. In particular, the strong vibronic interaction between electrons and nuclear…

Experiments show that light-matter strong coupling affects chemical properties, though the underlying mechanism remains unclear. We present an ab initio quantum electrodynamics coupled cluster method for the collective strong coupling…

Chemical Physics · Physics 2024-11-18 Matteo Castagnola , Marcus T. Lexander , Henrik Koch

We introduce a prototypical model for cavity polaritonic control of ultracold photochemistry by considering the resonant vibrational strong coupling of a rubidium dimer to a terahertz cavity. We demonstrate that at avoided crossings between…

Quantum Gases · Physics 2023-11-21 Vasil Rokaj , Simeon I. Mistakidis , H. R. Sadeghpour

The quantum dynamics of vibrational polaritonic states arising from the interaction of a bistable molecule with the quantized mode of a Fabry-Perot microcavity is investigated using an asymmetric double-well potential as a simplified…

Chemical Physics · Physics 2024-01-11 Loïse Attal , Florent Calvo , Cyril Falvo , Pascal Parneix

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 light-matter coupling inside an optical cavity can modify…

Chemical Physics · Physics 2021-03-17 Tor S. Haugland , Christian Schäfer , Enrico Ronca , Angel Rubio , Henrik Koch

We present a consistent analysis of linear spectroscopy for arrays of nearest neighbor dipole-coupled two-level molecules that reveals distinct signatures of weak and strong coupling regimes separated for infinite size arrays by a quantum…

Quantum Physics · Physics 2015-06-16 A. A. Kocherzhenko , J. Dawlaty , B. P. Abolins , F. Herrera , D. B. Abraham , K. B. Whaley

Strong light-matter coupling provides a versatile and novel means to manipulate chemical processes. Here we develop a theoretical framework to investigate the spectroscopy and dynamics of a molecular ensemble embedded in an optical cavity…

Quantum Physics · Physics 2023-06-16 Bing Gu

Strong coupling of molecules to the vacuum field of micro cavities can modify the potential energy surfaces opening new photophysical and photochemical reaction pathways. While the influence of laser fields is usually described in terms of…

Quantum Physics · Physics 2016-02-08 Markus Kowalewski , Kochise Bennett , Shaul Mukamel

In this work, we present a field-theoretic model of strongly coupled photonic molecules composed of interacting dielectric cavities in a closed, perfect-electric-conductor domain. Within this setting, we treat the resulting inter-mode…

Optics · Physics 2025-12-17 Kevin C. Smith , Austin G. Nixon , David J. Masiello

We show how to simulate a model of many molecules with both strong coupling to many vibrational modes and collective coupling to a single photon mode. We do this by combining process tensor matrix product operator methods with a mean-field…

Quantum Gases · Physics 2022-10-24 Piper Fowler-Wright , Brendon W. Lovett , Jonathan Keeling

We present the effects of resonator birefringence on the cavity-enhanced interfacing of quantum states of light and matter, including the first observation of single photons with a time-dependent polarisation state that evolves within their…

Quantum Physics · Physics 2019-03-27 Thomas D. Barrett , Oliver Barter , Dustin Stuart , Ben Yuen , Axel Kuhn

Polaritons have gained significant attention for the tantalizing possibility of modifying chemical properties and dynamics by coupling molecules to resonant cavity modes to create hybrid light-matter quantum states. Herein, we implement the…

Chemical Physics · Physics 2025-06-24 Scott M. Garner , Xiaosong Li , Sharon Hammes-Schiffer

Interaction between light and molecular vibrations leads to hybrid light-matter states called vibrational polaritons. Even though many intriguing phenomena have been predicted for single-molecule vibrational strong coupling (VSC), several…

A computational study of liquid water when the system is coupled with a (model) Fabry-Perot cavity is reported. At this end, the Cavity Born-Oppenheimer Molecular Dynamics approach proposed recently (Li et al., Proc. Nat. Acad. Sci. USA,…

We study theoretically the quantum dynamics and spectroscopy of rovibrational polaritons formed in a model system composed of a single rovibrating diatomic molecule, which interacts with two degenerate, orthogonally polarized modes of an…

Chemical Physics · Physics 2023-01-11 Eric W. Fischer , Peter Saalfrank
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