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Kristin B. Arnardottir et al.
PHYSICAL REVIEW LETTERS (2020)
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
Tor S. Haugland et al.
PHYSICAL REVIEW X (2020)
Strong Coupling of Exciton-Polaritons in a Bulk GaN Planar Waveguide: Quantifying the Coupling Strength
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PHYSICAL REVIEW APPLIED (2020)
Polaritonic coupled-cluster theory
Uliana Mordovina et al.
PHYSICAL REVIEW RESEARCH (2020)
Polaritons and excitons: Hamiltonian design for enhanced coherence
Gregory D. Scholes
PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES (2020)
Nonadiabatic dynamics in multidimensional complex potential energy surfaces
Fabris Kossoski et al.
CHEMICAL SCIENCE (2020)
Gauge invariance of the Dicke and Hopfield models
Luigi Garziano et al.
PHYSICAL REVIEW A (2020)
Manipulating molecules with strong coupling: harvesting triplet excitons in organic exciton microcavities
Daniel Polak et al.
CHEMICAL SCIENCE (2020)
Electromagnetic coupling in tight-binding models for strongly correlated light and matter
Jiajun Li et al.
PHYSICAL REVIEW B (2020)
A molecular perspective on Tully models for nonadiabatic dynamics
Lea M. Ibele et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Quasiclassical modeling of cavity quantum electrodynamics
Tao E. Li et al.
PHYSICAL REVIEW A (2020)
Manipulating nonadiabatic conical intersection dynamics by optical cavities
Bing Gu et al.
CHEMICAL SCIENCE (2020)
Ground state chemistry under vibrational strong coupling: dependence of thermodynamic parameters on the Rabi splitting energy
Anoop Thomas et al.
NANOPHOTONICS (2020)
A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states
Stephen J. Cotton et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Quasi-Diabatic Propagation Scheme for Direct Simulation of Proton-Coupled Electron Transfer Reaction
Arkajit Mandal et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2019)
Revealing the Presence of Potential Crossings in Diatomics Induced by Quantum Cavity Radiation
Johan F. Triana et al.
PHYSICAL REVIEW LETTERS (2019)
Tilting a ground-state reactivity landscape by vibrational strong coupling
A. Thomas et al.
SCIENCE (2019)
Gauge ambiguities imply Jaynes-Cummings physics remains valid in ultrastrong coupling QED
Adam Stokes et al.
NATURE COMMUNICATIONS (2019)
Polariton Chemistry: Action in the Dark
Stephane Kena-Cohen et al.
ACS CENTRAL SCIENCE (2019)
Electron transfer in confined electromagnetic fields
Alexander Semenov et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation
Stephen J. Cotton et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Cavity Control of Excitons in Two-Dimensional Materials
Simone Latini et al.
NANO LETTERS (2019)
Variational Theory of Nonrelativistic Quantum Electrodynamics
Nicholas Rivera et al.
PHYSICAL REVIEW LETTERS (2019)
Photoabsorption spectra of small Na clusters: TDHF and BSE versus CI and experiment
C. H. Patterson
PHYSICAL REVIEW MATERIALS (2019)
Cavity Catalysis by Cooperative Vibrational Strong Coupling of Reactant and Solvent Molecules
Jyoti Lather et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
Spin-mapping approach for nonadiabatic molecular dynamics
Johan E. Runeson et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
State dependent ring polymer molecular dynamics for investigating excited nonadiabatic dynamics
Sutirtha N. Chowdhury et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Ehrenfest and classical path dynamics with decoherence and detailed balance
Parmeet Nijjar et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Resolution of gauge ambiguities in ultrastrong-coupling cavity quantum electrodynamics
Omar Di Stefano et al.
NATURE PHYSICS (2019)
Strong plasmon-molecule coupling at the nanoscale revealed by first-principles modeling
Tuomas P. Rossi et al.
NATURE COMMUNICATIONS (2019)
Cavity Casimir-Polder Forces and Their Effects in Ground-State Chemical Reactivity
Javier Galego et al.
PHYSICAL REVIEW X (2019)
Investigating New Reactivities Enabled by Polariton Photochemistry
Arkajit Mandal et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations
Gerrit Groenhof et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Ultrafast dynamics in the vicinity of quantum light-induced conical intersections
Andras Csehi et al.
NEW JOURNAL OF PHYSICS (2019)
Exact Potential Energy Surface for Molecules in Cavities
Lionel Lacombe et al.
PHYSICAL REVIEW LETTERS (2019)
Modification of Enzyme Activity by Vibrational Strong Coupling of Water
Robrecht M. A. Vergauwe et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
Non-adiabatic molecular dynamics of molecules in the presence of strong light-matter interactions
Yu Zhang et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Mod(n-m,3) Dependence of Defect-State Emission Bands in Aryl-Functionalized Carbon Nanotubes
Brendan J. Gifford et al.
NANO LETTERS (2019)
Resonant catalysis of thermally activated chemical reactions with vibrational polaritons
Jorge A. Campos-Gonzalez-Angulo et al.
NATURE COMMUNICATIONS (2019)
Light-Matter Response in Nonrelativistic Quantum Electrodynamics
Johannes Flick et al.
ACS PHOTONICS (2019)
Properties of quantum dots coupled to plasmons and optical cavities
Dana E. Westmoreland et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
Norah M. Hoffmann et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Inverting singlet and triplet excited states using strong light-matter coupling
Elad Eizner et al.
SCIENCE ADVANCES (2019)
Atomistic investigation of hybrid plasmonic systems
Giulia Giannone et al.
NANOMATERIALS AND NANOTECHNOLOGY (2019)
Capturing vacuum fluctuations and photon correlations in cavity quantum electrodynamics with multitrajectory Ehrenfest dynamics
Norah M. Hoffmann et al.
PHYSICAL REVIEW A (2019)
Ultrastrong coupling between light and matter
Anton Frisk Kockum et al.
NATURE REVIEWS PHYSICS (2019)
Understanding the nature of mean-field semiclassical light-matter dynamics: An investigation of energy transfer, electron-electron correlations, external driving, and long-time detailed balance
Tao E. Li et al.
PHYSICAL REVIEW A (2019)
Quantum control with quantum light of molecular nonadiabaticity
Andras Csehi et al.
PHYSICAL REVIEW A (2019)
Optimal gauge for the multimode Rabi model in circuit QED
Marco Roth et al.
PHYSICAL REVIEW RESEARCH (2019)
Analysis of the Interaction Between Classical and Quantum Plasmons via FDTD-TDDFT Method
Jian Wei You et al.
IEEE JOURNAL ON MULTISCALE AND MULTIPHYSICS COMPUTATIONAL TECHNIQUES (2019)
Polaritonic Chemistry with Organic Molecules
Johannes Feist et al.
ACS PHOTONICS (2018)
Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method
Oriol Vendrell
CHEMICAL PHYSICS (2018)
Ab Initio Nonadiabatic Quantum Molecular Dynamics
Basile F. E. Curchod et al.
CHEMICAL REVIEWS (2018)
Quasi-Diabatic Representation for Nonadiabatic Dynamics Propagation
Arkajit Mandal et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)
Entangled Photonic-Nuclear Molecular Dynamics of LiF in Quantum Optical Cavities
Johan F. Triana et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
TD-DFT and TD-DFTB Investigation of the Optical Properties and Electronic Structure of Silver Nanorods and Nanorod Dimers
Fahri Alkan et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Polariton-Assisted Singlet Fission in Acene Aggregates
Luis A. Martinez-Martinez et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Light-matter interaction in the long-wavelength limit: no ground-state without dipole self-energy
Vasil Rokaj et al.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2018)
Two-dimensional infrared spectroscopy of vibrational polaritons
Bo Xiang et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Polariton chemistry: controlling molecular dynamics with optical cavities
Raphael F. Ribeiro et al.
CHEMICAL SCIENCE (2018)
Coherent exciton-vibrational dynamics and energy transfer in conjugated organics
Tammie R. Nelson et al.
NATURE COMMUNICATIONS (2018)
Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State
Johannes Flick et al.
ACS PHOTONICS (2018)
Suppression of photo-oxidation of organic chromophores by strong coupling to plasmonic nanoantennas
Battulga Munkhbat et al.
SCIENCE ADVANCES (2018)
From a quantum-electrodynamical light-matter description to novel spectroscopies
Michael Ruggenthaler et al.
NATURE REVIEWS CHEMISTRY (2018)
Light-matter interactions via the exact factorization approach
Norah M. Hoffmann et al.
EUROPEAN PHYSICAL JOURNAL B (2018)
Symmetric quasi-classical dynamics with quasi-diabatic propagation scheme
Juan Sebastian C. Sandoval et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers
Ruibin Liang et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Density Functional Tight Binding for Quantum Plasmonics
Stefania D'Agostino et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Coherent Light Harvesting through Strong Coupling to Confined Light
Gerrit Groenhof et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Cavity-Correlated Electron-Nuclear Dynamics from First Principles
Johannes Flick et al.
PHYSICAL REVIEW LETTERS (2018)
NEXMD Modeling of Photoisomerization Dynamics of 4-Styrylquinoline
Andrew E. Sifain et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Let Digons be Bygones: The Fate of Excitons in Curved π-Systems
Dianelys Ondarse-Alvarez et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Manipulating azobenzene photoisomerization through strong light-molecule coupling
J. Fregoni et al.
NATURE COMMUNICATIONS (2018)
Tensor network simulation of polaron-polaritons in organic microcavities
Javier del Pino et al.
PHYSICAL REVIEW B (2018)
Cavity quantum electrodynamics in the nonperturbative regime
Daniele De Bernardis et al.
PHYSICAL REVIEW A (2018)
Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling
Christian Schaefer et al.
PHYSICAL REVIEW A (2018)
Strong light-matter coupling in quantum chemistry and quantum photonics
Johannes Flick et al.
NANOPHOTONICS (2018)
Breakdown of gauge invariance in ultrastrong-coupling cavity QED
Daniele De Bernardis et al.
PHYSICAL REVIEW A (2018)
On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics
Stephen J. Cotton et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Predicting solvatochromic shifts and colours of a solvated organic dye: The example of nile red
T. J. Zuehlsdorff et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Multiscale Molecular Dynamics Simulations of Polaritonic Chemistry
Hoi Ling Luk et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems
Johannes Flick et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Kohn-Sham Decomposition in Real-Time Time-Dependent Density-Functional Theory: An Efficient Tool for Analyzing Plasmonic Excitations
Tuomas P. Rossi et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2017)
Plasmonic Nonlocal Response Effects on Dipole Decay Dynamics in the Weak- and Strong-Coupling Regimes
Radoslaw Jurga et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence
Seung Kyu Min et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals
Niccolo R. C. Corsini et al.
NANO LETTERS (2017)
Many-Molecule Reaction Triggered by a Single Photon in Polaritonic Chemistry
Javier Galego et al.
PHYSICAL REVIEW LETTERS (2017)
Manipulating molecules with quantum light
Markus Kowalewski et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
Johannes Flick et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
Dynamics of Strongly Coupled Modes between Surface Plasmon Polaritons and Photoactive Molecules: The Effect of the Stokes Shift
Svitlana Baieva et al.
ACS PHOTONICS (2017)
The quantum-optics Hamiltonian in the Multipolar gauge
Emmanuel Rousseau et al.
SCIENTIFIC REPORTS (2017)
Temperature-Dependent Hole Transfer from Photoexcited Quantum Dots to Molecular Species: Evidence for Trap-Mediated Transfer
Jacob H. Olshansky et al.
ACS NANO (2017)
Absorption and photoluminescence in organic cavity QED
Felipe Herrera et al.
PHYSICAL REVIEW A (2017)
Geometry dependence of surface lattice resonances in plasmonic nanoparticle arrays
R. Guo et al.
PHYSICAL REVIEW B (2017)
Hybrid Light-Matter States in a Molecular and Material Science Perspective
Thomas W. Ebbesen
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Surface Chemistry of Semiconducting Quantum Dots: Theoretical Perspectives
Svetlana V. Kilina et al.
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Dynamics of Strong Coupling between J-Aggregates and Surface Plasmon Polaritons in Subwavelength Hole Arrays
Hai Wang et al.
ADVANCED FUNCTIONAL MATERIALS (2016)
Ground-State Chemical Reactivity under Vibrational Coupling to the Vacuum Electromagnetic Field
Anoop Thomas et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Understanding the Surface Hopping View of Electronic Transitions and Decoherence
Joseph E. Subotnik et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67 (2016)
Through space and through bridge channels of charge transfer at p-n nano-junctions: A DFT study
Naveen Dandu et al.
CHEMICAL PHYSICS (2016)
Nonadiabatic excited-state molecular dynamics: On-the-fly limiting of essential excited states
Tammie Nelson et al.
CHEMICAL PHYSICS (2016)
Photoinduced Electron Transfer in Organic Solar Cells
Peng Song et al.
CHEMICAL RECORD (2016)
Coexistence of strong and weak coupling in ZnO nanowire cavities
Tom Michalsky et al.
EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS (2016)
Novel photochemistry of molecular polaritons in optical cavities
Kochise Bennett et al.
FARADAY DISCUSSIONS (2016)
Non-adiabatic dynamics of molecules in optical cavities
Markus Kowalewski et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling
Stephen J. Cotton et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Communication: GAIMS-Generalized Ab Initio Multiple Spawning for both internal conversion and intersystem crossing processes
Basile F. E. Curchod et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Efficient and Flexible Computation of Many-Electron Wave Function Overlaps
Felix Plasser et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Solvent Effects on Electronic Excitations of an Organic Chromophore
T. J. Zuehlsdorff et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods
Federica Agostini et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Ultrafast Photodissociation Dynamics of Nitromethane
Tammie Nelson et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Cavity Femtochemistry: Manipulating Nonadiabatic Dynamics at Avoided Crossings
Markus Kowalewski et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Single-molecule strong coupling at room temperature in plasmonic nanocavities
Rohit Chikkaraddy et al.
NATURE (2016)
The road towards polaritonic devices
Daniele Sanvitto et al.
NATURE MATERIALS (2016)
Multiple Rabi Splittings under Ultrastrong Vibrational Coupling
Jino George et al.
PHYSICAL REVIEW LETTERS (2016)
Observation of Quantum Interferences via Light-Induced Conical Intersections in Diatomic Molecules
Adi Natan et al.
PHYSICAL REVIEW LETTERS (2016)
Cavity-Controlled Chemistry in Molecular Ensembles
Felipe Herrera et al.
PHYSICAL REVIEW LETTERS (2016)
Electron transfer across a thermal gradient
Galen T. Craven et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2016)
Single-molecule optomechanics in picocavities
Felix Benz et al.
SCIENCE (2016)
Spin-orbit coupling of light in asymmetric microcavities
L. B. Ma et al.
NATURE COMMUNICATIONS (2016)
Near-infrared exciton-polaritons in strongly coupled single-walled carbon nanotube microcavities
Arko Graf et al.
NATURE COMMUNICATIONS (2016)
Suppressing photochemical reactions with quantized light fields
Javier Galego et al.
NATURE COMMUNICATIONS (2016)
Vacuum Rabi splitting in a plasmonic cavity at the single quantum emitter limit
Kotni Santhosh et al.
NATURE COMMUNICATIONS (2016)
Novel photochemistry of molecular polaritons in optical cavities
Kochise Bennett et al.
FARADAY DISCUSSIONS (2016)
The Requisite Electronic Structure Theory To Describe Photoexcited Nonadiabatic Dynamics: Nonadiabatic Derivative Couplings and Diabatic Electronic Couplings
Joseph E. Subotnik et al.
ACCOUNTS OF CHEMICAL RESEARCH (2015)
First-order derivative couplings between excited states from adiabatic TDDFT response theory
Qi Ou et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Aqueous Photogeneration of H2 with CdSe Nanocrystals and Nickel Catalysts: Electron Transfer Dynamics
Cunming Liu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Dynamics and protecting of entanglement in two-level systems interacting with a dissipative cavity: the Gardiner-Collett approach
A. Nourmandipour et al.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2015)
Quantum theory of collective strong coupling of molecular vibrations with a microcavity mode
Javier del Pino et al.
NEW JOURNAL OF PHYSICS (2015)
Optimized Effective Potential for Quantum Electrodynamical Time-Dependent Density Functional Theory
Camilla Pellegrini et al.
PHYSICAL REVIEW LETTERS (2015)
Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space
Johannes Flick et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2015)
Coherent coupling of molecular resonators with a microcavity mode
A. Shalabney et al.
NATURE COMMUNICATIONS (2015)
Ultrafast Polariton-Phonon Dynamics of Strongly Coupled Quantum Dot-Nanocavity Systems
Kai Mueller et al.
PHYSICAL REVIEW X (2015)
Cavity-Induced Modifications of Molecular Structure in the Strong-Coupling Regime
Javier Galego et al.
PHYSICAL REVIEW X (2015)
Waveguide-Plasmon Polariton Enhanced Photochemistry
Charlene Ng et al.
ADVANCED OPTICAL MATERIALS (2015)
Generalized coherent states
T. G. Philbin
AMERICAN JOURNAL OF PHYSICS (2014)
Biochemistry and Theory of Proton-Coupled Electron Transfer
Agostino Migliore et al.
CHEMICAL REVIEWS (2014)
New tools for the systematic analysis and visualization of electronic excitations. I. Formalism
Felix Plasser et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
New tools for the systematic analysis and visualization of electronic excitations. II. Applications
Felix Plasser et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics
Linjun Wang et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Auger-Assisted Electron Transfer from Photoexcited Semiconductor Quantum Dots
Haiming Zhu et al.
NANO LETTERS (2014)
Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory
Michael Ruggenthaler et al.
PHYSICAL REVIEW A (2014)
Photoinduced Charge Transfer in Donor-Acceptor (DA) Copolymer: Fullerene Bis-adduct Polymer Solar Cells
Tae Eui Kang et al.
ACS APPLIED MATERIALS & INTERFACES (2013)
Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space
Scott Habershon et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64 (2013)
Polariton Dynamics under Strong Light-Molecule Coupling
Tal Schwartz et al.
CHEMPHYSCHEM (2013)
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes
Stephen J. Cotton et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Communication: Nonadiabatic ring-polymer molecular dynamics
Jeremy O. Richardson et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Linear-scaling time-dependent density-functional theory in the linear response formalism
T. J. Zuehlsdorff et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations
Stephen J. Cotton et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
External Electric Field-Dependent Photoinduced Charge Transfer in a Donor-Acceptor System for an Organic Solar Cell
Peng Song et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2013)
Toward Ab Initio Optical Spectroscopy of the Fenna-Matthews-Olson Complex
Daniel J. Cole et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Qudit quantum computation in the Jaynes-Cummings model
Brian Mischuck et al.
PHYSICAL REVIEW A (2013)
Modifying Chemical Landscapes by Coupling to Vacuum Fields
James A. Hutchison et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Progress in Time-Dependent Density-Functional Theory
M. E. Casida et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
Multireference Nature of Chemistry: The Coupled-Cluster View
Dmitry I. Lyakh et al.
CHEMICAL REVIEWS (2012)
Proton-coupled electron transfer: classification scheme and guide to theoretical methods
Sharon Hammes-Schiffer
ENERGY & ENVIRONMENTAL SCIENCE (2012)
Decoherence-induced surface hopping
Heather M. Jaeger et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Perspective: Nonadiabatic dynamics theory
John C. Tully
JOURNAL OF CHEMICAL PHYSICS (2012)
Climbing the Jaynes-Cummings ladder by photon counting
Fabrice P. Laussy et al.
JOURNAL OF NANOPHOTONICS (2012)
Semiempirical Hamiltonian for Simulation of Azobenzene Photochemistry
Teresa Cusati et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Control of 1,3-Cyclohexadiene Photoisomerization Using Light-Induced Conical Intersections
Jaehee Kim et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Semi-classical path integral non-adiabatic dynamics: a partial linearized classical mapping Hamiltonian approach
Pengfei Huo et al.
MOLECULAR PHYSICS (2012)
Geometric phase and gauge connection in polyatomic molecules
Curt Wittig
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)
Exact solvability of the quantum Rabi model using Bogoliubov operators
Qing-Hu Chen et al.
PHYSICAL REVIEW A (2012)
Coupled-cluster theory and its equation-of-motion extensions
Rodney J. Bartlett
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Excited state coupled cluster methods
Kristian Sneskov et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution
Pengfei Huo et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Gradients for Configuration Interaction Energies with Spin-Orbit Coupling in a Semiempirical Framework
Giovanni Granucci et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Integrability of the Rabi Model
D. Braak
PHYSICAL REVIEW LETTERS (2011)
Reversible Switching of Ultrastrong Light-Molecule Coupling
T. Schwartz et al.
PHYSICAL REVIEW LETTERS (2011)
The Diabatic Picture of Electron Transfer, Reaction Barriers, and Molecular Dynamics
Troy Van Voorhis et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)
Including quantum decoherence in surface hopping
Giovanni Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance
Robert Send et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Application of Grote-Hynes Theory to the Reaction Catalyzed by Thymidylate Synthase
Natalia Kanaan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2010)
Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency CC Bonds
S. Fernandez-Alberti et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
Quantum dot Rabi rotations beyond the weak exciton-phonon coupling regime
Dara P. S. McCutcheon et al.
NEW JOURNAL OF PHYSICS (2010)
Exact Factorization of the Time-Dependent Electron-Nuclear Wave Function
Ali Abedi et al.
PHYSICAL REVIEW LETTERS (2010)
Exciton-polariton Bose-Einstein condensation
Hui Deng et al.
REVIEWS OF MODERN PHYSICS (2010)
Representation independent algorithms for molecular response calculations in time-dependent self-consistent field theories
Sergei Tretiak et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Synthesizing arbitrary quantum states in a superconducting resonator
Max Hofheinz et al.
NATURE (2009)
Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: The Hitchhiker's guide to Fock space
Anna I. Krylov
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
Constructing diabatic states from adiabatic states: Extending generalized Mulliken-Hush to multiple charge centers with Boys localization
Joseph E. Subotnik et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Generation of Fock states in a superconducting quantum circuit
Max Hofheinz et al.
NATURE (2008)
Generalized rotating-wave approximation for arbitrarily large coupling
E. K. Irish
PHYSICAL REVIEW LETTERS (2007)
Microscopic derivation of the Jaynes-Cummings model with cavity losses
M. Scala et al.
PHYSICAL REVIEW A (2007)
Coupling between protein and reaction dynamics in enzymatic processes:: Application of Grote-Hynes theory to catechol O-methyltransferase
Maite Roca et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Dynamics of a two-level system strongly coupled to a high-frequency quantum oscillator
EK Irish et al.
PHYSICAL REVIEW B (2005)
Photoinduced charge transfer across the interface between organic molecular crystals and polymers
V Podzorov et al.
PHYSICAL REVIEW LETTERS (2005)
Complete basis set extrapolated potential energy, dipole, and polarizability surfaces of alkali halide ion-neutral weakly avoided crossings with and without applied electric fields
TJ Giese et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A study of the mode-selective trans-cis isomerization in HONO using ab initio methodology
F Richter et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Strong coupling in a single quantum dot-semiconductor microcavity system
JP Reithmaier et al.
NATURE (2004)
Charge-transfer and energy-transfer processes in π-conjugated oligomers and polymers:: A molecular picture
JL Brédas et al.
CHEMICAL REVIEWS (2004)
Natural transition orbitals
RL Martin
JOURNAL OF CHEMICAL PHYSICS (2003)
Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules
S Tretiak et al.
CHEMICAL REVIEWS (2002)
Prediction of ion channel transport from Grote-Hynes and Kramers theories
IS Tolokh et al.
MOLECULAR PHYSICS (2002)
Quantum dot cavity-QED in the presence of strong electron-phonon interactions
I Wilson-Rae et al.
PHYSICAL REVIEW B (2002)
Electronic excitations: density-functional versus many-body Green's-function approaches
G Onida et al.
REVIEWS OF MODERN PHYSICS (2002)
Electronic density-matrix algorithm for nonadiabatic couplings in molecular dynamics simulations
M Tommasini et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2001)
Adiabatic approach for ultrafast quantum dynamics mediated by simultaneously active conical intersections
A Hofmann et al.
CHEMICAL PHYSICS LETTERS (2001)
Conformational gating of long distance electron transfer through wire-like bridges in donor-bridge-acceptor molecules
WB Davis et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Direct semiclassical simulation of photochemical processes with semiempirical wave functions
G Granucci et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Derivation of a Hamiltonian for photon decay in a cavity
SM Dutra et al.
JOURNAL OF OPTICS B-QUANTUM AND SEMICLASSICAL OPTICS (2000)
Molecular gradients for semiempirical CI wavefunctions with floating occupation molecular orbitals
G Granucci et al.
CHEMICAL PHYSICS LETTERS (2000)
Ab initio multiple spawning:: Photochemistry from first principles quantum molecular dynamics
M Ben-Nun et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Photon-mediated hybridization of Frenkel excitons in organic semiconductor microcavities
DG Lidzey et al.
SCIENCE (2000)
Density-matrix representation of nonadiabatic couplings in time-dependent density functional (TDDFT) theories
V Chernyak et al.
JOURNAL OF CHEMICAL PHYSICS (2000)