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Coupling between molecules and vacuum photon fields inside an optical cavity has proven to be an effective way to engineer molecular properties, in particular reactivity. To ease the rationalization of cavity induced effects we introduce an…

Chemical Physics · Physics 2022-04-06 Rosario R. Riso , Tor S. Haugland , Enrico Ronca , Henrik Koch

Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…

Chemical Physics · Physics 2018-10-03 Yasumitsu Suzuki , Satoshi Hagiwara , Kazuyuki Watanabe

We present the theoretical derivation and numerical implementation of the linear response equations for relativistic quantum electrodynamical density functional theory (QEDFT). In contrast to previous works based on the Pauli-Fierz…

Chemical Physics · Physics 2024-07-09 Lukas Konecny , Valeriia P. Kosheleva , Heiko Appel , Michael Ruggenthaler , Angel Rubio

We present a novel representation of coupled matter-photon systems that allows the application of many-body methods developed for purely fermionic systems. We do so by rewriting the original coupled light-matter problem in a…

Quantum Physics · Physics 2019-12-24 S. E. B. Nielsen , C. Schäfer , M. Ruggenthaler , A. Rubio

An important goal of modern condensed matter physics involves the search for states of matter with new emergent properties and desirable functionalities. Although the tools for material design remain relatively limited, notable advances…

Strongly Correlated Electrons · Physics 2023-06-21 Jacqueline Bloch , Andrea Cavalleri , Victor Galitski , Mohammad Hafezi , Angel Rubio

Polaritonic chemistry exploits strong light-matter coupling between molecules and confined electromagnetic field modes to enable new chemical reactivities. In systems displaying this functionality, the choice of the cavity determines both…

Optics · Physics 2022-08-25 Jacopo Fregoni , Francisco J. García-Vidal , Johannes Feist

Molecular polaritons are hybrid light-matter states that enable the exploration of potential cavity-modified chemistry. The development of dynamical, first-principles approaches for simulating molecular polaritons is important for…

Chemical Physics · Physics 2025-07-18 Millan F. Welman , Tao E. Li , Sharon Hammes-Schiffer

Polariton chemistry exploits the strong interaction between quantized excitations in molecules and quantized photon states in optical cavities to affect chemical reactivity. Molecular polaritons have been experimentally realized by the…

Chemical Physics · Physics 2023-09-06 Jonathan J. Foley , Jonathan F. McTague , A. Eugene DePrince

By propagating the many-body Schr\"odinger equation, we determine the exact time-dependent Kohn-Sham potential for a system of strongly correlated electrons which undergo field-induced tunneling. Numerous features are entirely absent from…

Strongly Correlated Electrons · Physics 2021-01-15 Matthew J. P. Hodgson , James D. Ramsden , Jacob B. J. Chapman , Piers Lillystone , Rex W Godby

Cavity quantum electrodynamics studies light-matter interactions at single quanta level. Chiral photon-emitter coupling in photonic structures is characterized as unidirectional propagation locked by the local polarization of light.…

We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…

Computational Physics · Physics 2019-06-12 Atsushi Yamada , Kazuhiro Yabana

Quantum effects, prevalent in the microscopic scale, generally elusive in macroscopic systems due to dissipation and decoherence. Quantum phenomena in large systems emerge only when particles are strongly correlated as in superconductors…

Quantum Physics · Physics 2018-02-20 Junki Kim , Daeho Yang , Seung-hoon Oh , Kyungwon An

Collective strong coupling of molecular ensembles to optical cavities opens a route to modifying matter through genuinely collective electronic correlations. Yet even in the absence of a cavity, Coulomb correlations are notoriously…

Quantum Physics · Physics 2026-05-05 Dominik Sidler , Michael Ruggenthaler , Angel Rubio

A model designed to mimic the implications of the collective optical response of molecular ensembles in optical cavities on molecular vibronic dynamics is investigated. Strong molecule-radiation field coupling is often reached when a large…

Chemical Physics · Physics 2022-10-05 Bingyu Cui , Abraham Nitzan

We show that strong electron-electron interactions in cavity-coupled quantum materials can enable collectively enhanced light-matter interactions with ultrastrong effective coupling strengths. As a paradigmatic example we consider a…

Strongly Correlated Electrons · Physics 2019-09-04 Martin Kiffner , Jonathan Coulthard , Frank Schlawin , Arzhang Ardavan , Dieter Jaksch

Interfacing materials with electromagnetic cavities offers a route to modify equilibrium properties through structured vacuum fluctuations. The coupling of light with correlated electrons lacks a characteristic energy scale, making vacuum…

This chapter introduces cavity-based light-matter quantum interfaces, with a single atom or ion in strong coupling to a high-finesse optical cavity. We discuss the deterministic generation of indistinguishable single photons from these…

Quantum Physics · Physics 2015-02-25 Axel Kuhn

When light and matter interact strongly, the resulting hybrid system inherits properties from both constituents, allowing one to modify material behavior by engineering the surrounding electromagnetic environment. This concept underlies the…

Quantum light-matter systems at strong coupling are notoriously challenging to analyze due to the need to include states with many excitations in every coupled mode. We propose a nonperturbative approach to analyze light-matter correlations…

Mesoscale and Nanoscale Physics · Physics 2021-04-15 Yuto Ashida , Atac Imamoglu , Eugene Demler

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