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Recent experiments have demonstrated that polariton formation provides a novel strategy for modifying local molecular processes when a large ensemble of molecules is confined within an optical cavity. Herein, a numerical strategy based on…

Chemical Physics · Physics 2025-05-16 Andres Felipe Bocanegra Vargas , Tao E. Li

We present a general computational protocol for the evaluation of extensive molecular response properties in complex environments within a polarizable quantum embedding framework. The approach extends multilevel density functional theory…

Chemical Physics · Physics 2026-02-11 Alberto Barlini , Julien Bloino , Henrik Koch , Tommaso Giovannini

We develop a microscopic theory for the multimode polariton dispersion in materials coupled to cavity radiation modes. Starting from a microscopic light-matter Hamiltonian, we devise a general strategy for obtaining simple matrix models of…

Materials Science · Physics 2023-05-09 Arkajit Mandal , Ding Xu , Ankit Mahajan , Joonho Lee , Milan E. Delor , David R. Reichman

This chapter discusses contemporary quantum chemical methods and provides general insights into modern electronic structure theory with a focus on heavy-element-containing compounds. We first give a short overview of relativistic…

Chemical Physics · Physics 2020-02-18 Aleksandra Leszczyk , Paweł Tecmer , Katharina Boguslawski

In this work we present a set of virial relations for many electron systems coupled to field modes, described by the Pauli--Fierz Hamiltonian in dipole approximation and using length gauge. Currently, there is growing interest in solutions…

Quantum Physics · Physics 2024-10-22 Iris Theophilou , Markus Penz , Michael Ruggenthaler , Angel Rubio

Engineering strong interactions between optical photons is a great challenge for quantum science. Envisioned applications range from the realization of photonic gates for quantum information processing to synthesis of photonic quantum…

Mesoscale and Nanoscale Physics · Physics 2019-11-26 Patrick Knüppel , Sylvain Ravets , Martin Kroner , Stefan Fält , Werner Wegscheider , Atac Imamoglu

Integrated photonics has been a promising platform for analog quantum simulation of condensed matter phenomena in strongly correlated systems. To that end, we explore the implementation of all-photonic quantum simulators in coupled cavity…

Polaritonic chemistry investigates the possible modification of chemical and photochemical reactions by means of strong light-matter coupling in optical cavities, as demonstrated in numerous experiments over the last few years. These…

Quantum Physics · Physics 2025-07-30 Lucas Borges , Thomas Schnappinger , Markus Kowalewski

Experiments have shown that strong coupling between molecular excitations and a mode of a Fabry--P\'erot cavity can significantly alter molecular properties, such as reaction rates and equilibrium constants. However, in spite of the large…

Chemical Physics · Physics 2025-09-22 Marit R. Fiechter , Mark Kamper Svendsen

We employ an exact quantum mechanical simulation technique to investigate a model of cavity-modified chemical reactions in the condensed phase. The model contains the coupling of the reaction coordinate to a generic solvent, cavity coupling…

Quantum Physics · Physics 2023-07-03 Lachlan P. Lindoy , Arkajit Mandal , David R. Reichman

Cavity-polaritons in semiconductor microstructures have emerged as a promising system for exploring nonequilibrium dynamics of many-body systems. Key advances in this field, including the observation of polariton condensation,…

Mesoscale and Nanoscale Physics · Physics 2019-04-05 Aymeric Delteil , Thomas Fink , Anne Schade , Sven Höfling , Christian Schneider , Ataç Imamoğlu

Precision physics aims to use atoms and molecules to test and develop the fundamental theory of matter, possibly beyond the Standard Model. Most of the atomic and molecular phenomena are described by the QED (quantum electrodynamics) sector…

Chemical Physics · Physics 2024-06-11 Ádám Nonn , Ádám Margócsy , Edit Mátyus

The multipolar Hamiltonian of quantum electrodynamics (QED) is extensively employed in chemical and optical physics to treat rigorously the interaction of electromagnetic fields with matter. It is also widely used to evaluate intermolecular…

Quantum Physics · Physics 2018-01-25 David L. Andrews , Garth A. Jones , A Salam , R. Guy Woolley

Polaritonic states, which arise from strong coupling between light and matter, show great promise in modifying chemical reactivity. However, reproducible enhancement of chemical reactions with polaritons is challenging due to a lack of…

Chemical Physics · Physics 2025-01-14 Shahzad Alam , Yicheng Liu , Russell J. Holmes , Renee R. Frontiera

The polariton, a quasiparticle formed by strong coupling of a photon to a matter excitation, is a fundamental ingredient of emergent photonic quantum systems ranging from semiconductor nanophotonics to circuit quantum electrodynamics.…

Quantum Gases · Physics 2024-03-21 Joonhyuk Kwon , Youngshin Kim , Alfonso Lanuza , Dominik Schneble

This is a tutorial-style introduction to the field of molecular polaritons. We describe the basic physical principles and consequences of strong light-matter coupling common to molecular ensembles embedded in UV-visible or infrared…

Chemical Physics · Physics 2020-03-18 Felipe Herrera , Jeffrey Owrutsky

Cavity quantum electrodynamics (QED) manipulates the coupling of light with matter, and allows for several emitters to couple coherently with one light mode. However, even in a many-body system, the light-matter coupling mechanism was so…

Quantum Gases · Physics 2021-11-10 Hideki Konishi , Kevin Roux , Victor Helson , Jean-Philippe Brantut

We present a formalism for studying the radiation-matter interaction in multilayered dielectric structures with active semiconductor quantum wells patterned with an in-plane periodic lattice. The theory is based on the diagonalization of…

Mesoscale and Nanoscale Physics · Physics 2022-09-22 Simone Zanotti , Hai Son Nguyen , Momchil Minkov , Lucio Claudio Andreani , Dario Gerace

Polaritons are the collective excitations of many atoms dressed by resonant photons, which can be used to explain the slow light propagation with the mechanism of electromagnetically induced transparency. As quasi-particles, these…

Quantum Physics · Physics 2009-11-13 Lan Zhou , Jing Lu , D. L. Zhou , C. P. Sun

Except for small molecules, it is impossible to solve many electrons systems without imposing severe approximations. If the configuration interaction approaches (CI) or Coupled Clusters techniques \cite{FuldeBook} are applicable for…

Strongly Correlated Electrons · Physics 2009-11-11 J. P. Julien , Johann Bouchet