On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics
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August 2017 |
Design of Organic Dyes and Cobalt Polypyridine Redox Mediators for High-Efficiency Dye-Sensitized Solar Cells
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November 2010 |
Charge-Transfer and Energy-Transfer Processes in ?-Conjugated Oligomers and Polymers: A Molecular Picture
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February 2005 |
Coherent Nuclear and Electronic Dynamics in Primary Charge Separation in Photosynthetic Reaction Centers: A Redfield Theory Approach
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June 2004 |
Vibrational Energy Relaxation Rates via the Linearized Semiclassical Approximation: Applications to Neat Diatomic Liquids and Atomic−Diatomic Liquid Mixtures
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June 2005 |
Communication: Partial linearized density matrix dynamics for dissipative, non-adiabatic quantum evolution
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November 2011 |
A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solutions
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February 2005 |
On the adequacy of the Redfield equation and related approaches to the study of quantum dynamics in electronic energy transfer
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June 2009 |
A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation
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January 2019 |
Understanding the Surface Hopping View of Electronic Transitions and Decoherence
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May 2016 |
Influence functionals with semiclassical propagators in combined forward–backward time
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January 1999 |
Computational Study of Charge-Transfer Dynamics in the Carotenoid–Porphyrin–C 60 Molecular Triad Solvated in Explicit Tetrahydrofuran and Its Spectroscopic Signature
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May 2018 |
Quantum-classical Liouville dynamics in the mapping basis
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August 2008 |
Nonadiabatic dynamics in open quantum-classical systems: Forward-backward trajectory solution
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December 2012 |
Charge transfer in organic molecules for solar cells: theoretical perspective
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January 2012 |
Propagation Methods for Quantum Molecular Dynamics
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October 1994 |
Chemical Dynamics in Condensed Phases
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book
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April 2006 |
Tensor-Train Split-Operator Fourier Transform (TT-SOFT) Method: Multidimensional Nonadiabatic Quantum Dynamics
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August 2017 |
Surface hopping with a manifold of electronic states. I. Incorporating surface-leaking to capture lifetimes
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February 2015 |
A semiclassical generalized quantum master equation for an arbitrary system-bath coupling
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June 2004 |
Modeling of ultrafast electron-transfer dynamics: multi-level Redfield theory and validity of approximations
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June 2001 |
Mixed quantum-classical dynamics
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May 1999 |
Semiclassical description of electronically nonadiabatic dynamics via the initial value representation
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August 2007 |
Efficient and accurate surface hopping for long time nonadiabatic quantum dynamics
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July 2013 |
A variational solution of the time-dependent Schrodinger equation
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January 1964 |
Vibrational Energy Relaxation of Polyatomic Molecules in Liquid Solution via the Linearized Semiclassical Method
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August 2006 |
A new approach to decoherence and momentum rescaling in the surface hopping algorithm
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January 2011 |
On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
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February 2019 |
Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method
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August 2016 |
Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics
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June 2014 |
Ensemble Method in the Theory of Irreversibility
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November 1960 |
Approximate but accurate quantum dynamics from the Mori formalism: I. Nonequilibrium dynamics
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May 2016 |
Flow of zero-point energy and exploration of phase space in classical simulations of quantum relaxation dynamics
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July 1999 |
Accurate Long-Time Mixed Quantum-Classical Liouville Dynamics via the Transfer Tensor Method
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November 2016 |
Non-Condon equilibrium Fermi’s golden rule electronic transition rate constants via the linearized semiclassical method
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June 2016 |
A Benchmark Study of Different Methods for Calculating One- And Two-Dimensional Optical Spectra
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October 2009 |
Accurate nonadiabatic quantum dynamics on the cheap: Making the most of mean field theory with master equations
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March 2015 |
A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solution. II. The signature of excited state dynamics on two-dimensional spectra
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September 2008 |
The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes
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February 2016 |
Trotter-Based Simulation of Quantum-Classical Dynamics †
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January 2008 |
Nonradiative Electronic Relaxation Rate Constants from Approximations Based on Linearizing the Path-Integral Forward−Backward Action
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July 2004 |
Nonequilibrium Fermi’s Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method
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May 2016 |
A unified theoretical framework for mapping models for the multi-state Hamiltonian
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November 2016 |
Semiclassical-limit molecular dynamics on multiple electronic surfaces
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March 1997 |
Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix
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August 2016 |
Vibrational Energy Relaxation in Liquid Oxygen from a Semiclassical Molecular Dynamics Simulation
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October 2003 |
A classical analog for electronic degrees of freedom in nonadiabatic collision processes
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April 1979 |
Application of Redfield theory to optical dephasing and line shape of electronic transitions in molecular mixed crystals
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journal
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January 1979 |
Multidimensional Quantum Dynamics
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book
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April 2009 |
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electronically non-adiabatic processes
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December 2013 |
Photonic Switching of Photoinduced Electron Transfer in a Dithienylethene−Porphyrin−Fullerene Triad Molecule
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July 2002 |
A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism
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August 2004 |
Mapping quantum-classical Liouville equation: Projectors and trajectories
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February 2012 |
Organic Redox Couples and Organic Counter Electrode for Efficient Organic Dye-Sensitized Solar Cells
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June 2011 |
Simulation of Coherent Nonadiabatic Dynamics Using Classical Trajectories
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June 1998 |
Ring polymer molecular dynamics with surface hopping
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December 2012 |
Decoherence-induced surface hopping
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December 2012 |
Mixed quantum-classical surface hopping dynamics
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April 2000 |
The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations
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journal
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April 2001 |
Equilibrium Fermi’s Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory
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October 2015 |
Sequential short-time propagation of quantum classical dynamics
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September 2002 |
Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations
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text
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January 2015 |
Donor-to-Donor vs Donor-to-Acceptor Interfacial Charge Transfer States in the Phthalocyanine–Fullerene Organic Photovoltaic System
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October 2014 |
Quantum-Classical Liouville Dynamics in the Mapping Basis
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text
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January 2009 |
Quantum decoherence in mixed quantum‐classical systems: Nonadiabatic processes
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journal
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November 1995 |
A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling
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October 2016 |
Nonequilibrium Fermi golden rule for electronic transitions through conical intersections
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December 2011 |
Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure: Property Relationships to Design Rules
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March 2009 |
Calculation from First Principles of Intramolecular Golden-Rule Rate Constants for Photo-Induced Electron Transfer in Molecular Donor–Acceptor Systems
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October 2013 |
Multilevel Redfield description of the dissipative dynamics at conical intersections
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journal
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January 2002 |
Recent Progress in Surface Hopping: 2011–2015
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May 2016 |
Mapping quantum-classical Liouville equation: projectors and trajectories
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text
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January 2012 |
Vibrational Energy Relaxation in Liquid HCl and DCl via the Linearized Semiclassical Method: Electrostriction versus Quantum Delocalization
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September 2011 |
A Unified Theoretical Framework for Mapping Models for the Multi-State Hamiltonian
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text
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January 2016 |
A Simple Solution to the Trivial Crossing Problem in Surface Hopping
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journal
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January 2014 |
Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets
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December 2002 |
Mean-field dynamics with stochastic decoherence (MF-SD): A new algorithm for nonadiabatic mixed quantum/classical molecular-dynamics simulations with nuclear-induced decoherence
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December 2005 |
Vibrational Energy Relaxation Rates via the Linearized Semiclassical Method without Force Derivatives
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May 2010 |
Time-convolutionless master equation for mesoscopic electron-phonon systems
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journal
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September 2006 |
On the identity of the identity operator in nonadiabatic linearized semiclassical dynamics
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text
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January 2019 |
Coupling of protein motion to electron transfer in a photosynthetic reaction center: investigating the low temperature behavior in the framework of the spin—boson model
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May 1994 |
A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes
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journal
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August 2015 |
Exact Calculation of the Time Convolutionless Master Equation Generator: Application to the Nonequilibrium Resonant Level Model
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text
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January 2015 |
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: Application to electron transfer
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journal
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August 2014 |
Entropic Changes Control the Charge Separation Process in Triads Mimicking Photosynthetic Charge Separation
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journal
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May 2008 |
Exact calculation of the time convolutionless master equation generator: Application to the nonequilibrium resonant level model
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December 2015 |
Nonequilibrium quantum dynamics in the condensed phase via the generalized quantum master equation
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July 2006 |
A nonequilibrium golden rule formula for electronic state populations in nonadiabatically coupled systems
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July 1994 |
Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture
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journal
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November 2004 |
Quantum Coherence in Photosynthetic Light Harvesting
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journal
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March 2012 |
A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling
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journal
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December 2003 |
Solution of the Redfield equation for the dissipative quantum dynamics of multilevel systems
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journal
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April 1994 |
Trajectory Surface Hopping Approach to Nonadiabatic Molecular Collisions: The Reaction of H + with D 2
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journal
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July 1971 |
Symmetrical Windowing for Quantum States in Quasi-Classical Trajectory Simulations
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journal
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March 2013 |
Molecular dynamics with electronic transitions
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journal
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July 1990 |
Photoinduced Charge Separation and Charge Recombination to a Triplet State in a Carotene−Porphyrin−Fullerene Triad
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journal
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February 1997 |
Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations
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journal
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October 1997 |
Semiclassical theory of electronically nonadiabatic dynamics: Results of a linearized approximation to the initial value representation
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journal
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November 1998 |
Semiclassical Theory of Vibrational Energy Relaxation in the Condensed Phase
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journal
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October 2003 |