Quantum-electrodynamical time-dependent density functional theory within Gaussian atomic basis

Cavity molecular dynamics simulations of vibrational polariton-enhanced molecular nonlinear absorption

(2021) Tao E. Li et al.   JOURNAL OF CHEMICAL PHYSICS

Cavity-modulated ionization potentials and electron affinities from quantum electrodynamics coupled-cluster theory

(2021) A. Eugene DePrince   JOURNAL OF CHEMICAL PHYSICS

Intermolecular interactions in optical cavities: An ab initio QED study

(2021) Tor S. Haugland et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular polaritons for controlling chemistry with quantum optics

(2020) Felipe Herrera et al.   JOURNAL OF CHEMICAL PHYSICS

Polariton-Mediated Electron Transfer via Cavity Quantum Electrodynamics

(2020) Arkajit Mandal et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Ab initio polaritonic potential-energy surfaces for excited-state nanophotonics and polaritonic chemistry

(2020) Johannes Flick et al.   JOURNAL OF CHEMICAL PHYSICS

Manipulating Two-Photon-Absorption of Cavity Polaritons by Entangled Light

(2020) Bing Gu et al.   Journal of Physical Chemistry Letters

Quantum Information and Algorithms for Correlated Quantum Matter

(2020) Kade Head-Marsden et al.   CHEMICAL REVIEWS

Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States

(2020) Tor S. Haugland et al.   Physical Review X

Gauge ambiguities imply Jaynes-Cummings physics remains valid in ultrastrong coupling QED

(2019) Adam Stokes et al.   Nature Communications

Ehrenfest+R dynamics. II. A semiclassical QED framework for Raman scattering

(2019) Hsing-Ta Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Ehrenfest+R dynamics. I. A mixed quantum–classical electrodynamics simulation of spontaneous emission

(2019) Hsing-Ta Chen et al.   JOURNAL OF CHEMICAL PHYSICS

Electron transfer in confined electromagnetic fields

(2019) Alexander Semenov et al.   JOURNAL OF CHEMICAL PHYSICS

Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity

(2019) Javier Galego et al.   Physical Review X

Singlet fission of amorphous rubrene modulated by polariton formation

(2019) Shota Takahashi et al.   JOURNAL OF CHEMICAL PHYSICS

Modifying the Nonradiative Decay Dynamics through Conical Intersections via Collective Coupling to a Cavity Mode

(2019) Inga S. Ulusoy et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Investigating New Reactivities Enabled by Polariton Photochemistry

(2019) Arkajit Mandal et al.   Journal of Physical Chemistry Letters

A hybrid organic–inorganic polariton LED

(2019) Rahul Jayaprakash et al.   Light-Science & Applications

Light–Matter Response in Nonrelativistic Quantum Electrodynamics

(2019) Johannes Flick et al.   ACS Photonics

Strong Coupling with Light Enhances the Photoisomerization Quantum Yield of Azobenzene

(2019) Jacopo Fregoni et al.   Chem

Inverting singlet and triplet excited states using strong light-matter coupling

(2019) Elad Eizner et al.   Science Advances

Entangled Photonic-Nuclear Molecular Dynamics of LiF in Quantum Optical Cavities

(2018) Johan F. Triana et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Polariton-Assisted Singlet Fission in Acene Aggregates

(2018) Luis A. Martínez-Martínez et al.   Journal of Physical Chemistry Letters

Polariton chemistry: controlling molecular dynamics with optical cavities

(2018) Raphael F. Ribeiro et al.   Chemical Science

Theory for polariton-assisted remote energy transfer

(2018) Matthew Du et al.   Chemical Science

Selective manipulation of electronically excited states through strong light–matter interactions

(2018) Kati Stranius et al.   Nature Communications

Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

(2018) Johannes Flick et al.   ACS Photonics

From a quantum-electrodynamical light–matter description to novel spectroscopies

(2018) Michael Ruggenthaler et al.   Nature Reviews Chemistry

Manipulating azobenzene photoisomerization through strong light–molecule coupling

(2018) J. Fregoni et al.   Nature Communications

Cavity Born–Oppenheimer Approximation for Correlated Electron–Nuclear-Photon Systems

(2017) Johannes Flick et al.   Journal of Chemical Theory and Computation

The quantum Rabi model: solution and dynamics

(2017) Qiongtao Xie et al.   Journal of Physics A-Mathematical and Theoretical

Many-Molecule Reaction Triggered by a Single Photon in Polaritonic Chemistry

(2017) Javier Galego et al.   PHYSICAL REVIEW LETTERS

Manipulating molecules with quantum light

(2017) Markus Kowalewski et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry

(2017) Johannes Flick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Py SCF: the Python-based simulations of chemistry framework

(2017) Qiming Sun et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Ultrastrong Coupling of Electrically Pumped Near-Infrared Exciton-Polaritons in High Mobility Polymers

(2017) Martin Held et al.   Advanced Optical Materials

Tunable Third-Harmonic Generation from Polaritons in the Ultrastrong Coupling Regime

(2017) Fábio Barachati et al.   ACS Photonics

Hybrid Light–Matter States in a Molecular and Material Science Perspective

(2016) Thomas W. Ebbesen   ACCOUNTS OF CHEMICAL RESEARCH

Ground-State Chemical Reactivity under Vibrational Coupling to the Vacuum Electromagnetic Field

(2016) Anoop Thomas et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Non-Radiative Energy Transfer Mediated by Hybrid Light-Matter States

(2016) Xiaolan Zhong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Non-adiabatic dynamics of molecules in optical cavities

(2016) Markus Kowalewski et al.   JOURNAL OF CHEMICAL PHYSICS

Cavity-Controlled Chemistry in Molecular Ensembles

(2016) Felipe Herrera et al.   PHYSICAL REVIEW LETTERS

Suppressing photochemical reactions with quantized light fields

(2016) Javier Galego et al.   Nature Communications

Enhanced Raman Scattering from Vibro-Polariton Hybrid States

(2015) Atef Shalabney et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Non-Markovian polariton dynamics in organic strong coupling

(2015) Antoine Canaguier-Durand et al.   EUROPEAN PHYSICAL JOURNAL D

Ultra-strong coupling of molecular materials: spectroscopy and dynamics

(2015) Jino George et al.   FARADAY DISCUSSIONS

Restricted Hartree Fock using complex-valued orbitals: A long-known but neglected tool in electronic structure theory

(2015) David W. Small et al.   JOURNAL OF CHEMICAL PHYSICS

Liquid-Phase Vibrational Strong Coupling

(2015) Jino George et al.   Journal of Physical Chemistry Letters

Conductivity in organic semiconductors hybridized with the vacuum field

(2015) E. Orgiu et al.   NATURE MATERIALS

Hedin equations in resonant microcavities

(2015) Paolo E. Trevisanutto et al.   PHYSICAL REVIEW B

Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory

(2015) Camilla Pellegrini et al.   PHYSICAL REVIEW LETTERS

Extraordinary Exciton Conductance Induced by Strong Coupling

(2015) Johannes Feist et al.   PHYSICAL REVIEW LETTERS

Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space

(2015) Johannes Flick et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Coherent coupling of molecular resonators with a microcavity mode

(2015) A. Shalabney et al.   Nature Communications

Ultra-strong coupling of molecular materials: spectroscopy and dynamics

(2015) Jino George et al.   FARADAY DISCUSSIONS

Derivation of the RPA (Random Phase Approximation) Equation of ATDDFT (Adiabatic Time Dependent Density Functional Ground State Response Theory) from an Excited State Variational Approach Based on the Ground State Functional

(2014) Tom Ziegler et al.   Journal of Chemical Theory and Computation

Quantum Yield of Polariton Emission from Hybrid Light-Matter States

(2014) Shaojun Wang et al.   Journal of Physical Chemistry Letters

Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

(2014) Yihan Shao et al.   MOLECULAR PHYSICS

Phase transition of a perovskite strongly coupled to the vacuum field

(2014) Shaojun Wang et al.   Nanoscale

Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory

(2014) Michael Ruggenthaler et al.   PHYSICAL REVIEW A

Tuning the Work-Function Via Strong Coupling

(2013) James A. Hutchison et al.   ADVANCED MATERIALS

Thermodynamics of Molecules Strongly Coupled to the Vacuum Field

(2013) Antoine Canaguier-Durand et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Strong Light-Molecule Coupling on Plasmonic Arrays of Different Symmetry

(2013) Adi Salomon et al.   CHEMPHYSCHEM

Particle-particle and quasiparticle random phase approximations: Connections to coupled cluster theory

(2013) Gustavo E. Scuseria et al.   JOURNAL OF CHEMICAL PHYSICS

Time-Dependent Density Functional Theory for Many-Electron Systems Interacting with Cavity Photons

(2013) I. V. Tokatly   PHYSICAL REVIEW LETTERS

Modifying Chemical Landscapes by Coupling to Vacuum Fields

(2012) James A. Hutchison et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Progress in Time-Dependent Density-Functional Theory

(2012) M.E. Casida et al.   Annual Review of Physical Chemistry

Polariton Dynamics under Strong Light-Molecule Coupling

(2012) Tal Schwartz et al.   CHEMPHYSCHEM

Ultrastrong routes to new chemistry

(2012) Anna Fontcuberta i Morral et al.   NATURE MATERIALS

The Dicke model in quantum optics: Dicke model revisited

(2011) B. M. Garraway   PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES

Time-dependent Kohn-Sham approach to quantum electrodynamics

(2011) M. Ruggenthaler et al.   PHYSICAL REVIEW A

Integrability of the Rabi Model

(2011) D. Braak   PHYSICAL REVIEW LETTERS

Reversible Switching of Ultrastrong Light-Molecule Coupling

(2011) T. Schwartz et al.   PHYSICAL REVIEW LETTERS

Room-temperature polariton lasing in an organic single-crystal microcavity

(2010) S. Kéna-Cohen et al.   Nature Photonics

Time-dependent density-functional theory for molecules and molecular solids

(2009) Mark E. Casida   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Simulation of J-aggregate microcavity photoluminescence

(2008) Paolo Michetti et al.   PHYSICAL REVIEW B