Decoherence-induced surface hopping

Multiple Exciton Generation and Recombination Dynamics in Small Si and CdSe Quantum Dots: An Ab Initio Time-Domain Study

(2012) Kim Hyeon-Deuk et al.   ACS Nano

Photoluminescence imaging of electronic-impurity-induced exciton quenching in single-walled carbon nanotubes

(2012) Jared J. Crochet et al.   Nature Nanotechnology

Multidimensional treatment of stochastic solvent dynamics in photoinduced proton-coupled electron transfer processes: Sequential, concerted, and complex branching mechanisms

(2011) Alexander V. Soudackov et al.   JOURNAL OF CHEMICAL PHYSICS

Exciton dynamics in chromophore aggregates with correlated environment fluctuations

(2011) Darius Abramavicius et al.   JOURNAL OF CHEMICAL PHYSICS

Time-dependent density functional theory based Ehrenfest dynamics

(2011) Fan Wang et al.   JOURNAL OF CHEMICAL PHYSICS

Phase-corrected surface hopping: Correcting the phase evolution of the electronic wavefunction

(2011) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Simultaneous-trajectory surface hopping: A parameter-free algorithm for implementing decoherence in nonadiabatic dynamics

(2011) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Fewest-Switches Surface Hopping and Decoherence in Multiple Dimensions

(2011) Joseph E. Subotnik   JOURNAL OF PHYSICAL CHEMISTRY A

Photodynamics and Time-Resolved Fluorescence of Azobenzene in Solution: A Mixed Quantum-Classical Simulation

(2011) Teresa Cusati et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Time-Domain ab Initio Study of Auger and Phonon-Assisted Auger Processes in a Semiconductor Quantum Dot

(2011) Kim Hyeon-Deuk et al.   NANO LETTERS

Including quantum decoherence in surface hopping

(2010) Giovanni Granucci et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic Simulations of Exciton Dissociation in Poly-p-phenylenevinylene Oligomers

(2010) Michael J. Bedard-Hearn et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Role of Solvent Dynamics in Ultrafast Photoinduced Proton-Coupled Electron Transfer Reactions in Solution

(2010) Anirban Hazra et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Coherently wired light-harvesting in photosynthetic marine algae at ambient temperature

(2010) Elisabetta Collini et al.   NATURE

Observation of long-range exciton diffusion in highly ordered organic semiconductors

(2010) H. Najafov et al.   NATURE MATERIALS

Does the Hydrated Electron Occupy a Cavity?

(2010) R. E. Larsen et al.   SCIENCE

Phonon-Induced Dephasing of Excitons in Semiconductor Quantum Dots: Multiple Exciton Generation, Fission, and Luminescence

(2009) Angeline B. Madrid et al.   ACS Nano

Coherent Multidimensional Optical Spectroscopy of Excitons in Molecular Aggregates; Quasiparticle versus Supermolecule Perspectives

(2009) Darius Abramavicius et al.   CHEMICAL REVIEWS

A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method

(2009) Qiang Shi et al.   JOURNAL OF CHEMICAL PHYSICS

Model Hamiltonian for the interaction of NO with the Au(111) surface

(2009) Sharani Roy et al.   JOURNAL OF CHEMICAL PHYSICS

Nonadiabatic dynamics at metal surfaces: Independent-electron surface hopping

(2009) Neil Shenvi et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the Dynamics of Intraband Electronic Coherences in Cylindrical Molecular Aggregates

(2009) Jordan M. Womick et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Time-Domain Ab Initio Study of Nonradiative Decay in a Narrow Graphene Ribbon

(2009) Bradley F. Habenicht et al.   Journal of Physical Chemistry C

Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective

(2009) Oleg V. Prezhdo et al.   PROGRESS IN SURFACE SCIENCE

Energy Flow Under Control

(2009) V. S. Batista   SCIENCE

Coherent Intrachain Energy Migration in a Conjugated Polymer at Room Temperature

(2009) E. Collini et al.   SCIENCE

Dynamical Steering and Electronic Excitation in NO Scattering from a Gold Surface

(2009) N. Shenvi et al.   SCIENCE

Breaking the Phonon Bottleneck in PbSe and CdSe Quantum Dots: Time-Domain Density Functional Theory of Charge Carrier Relaxation

(2008) Svetlana V. Kilina et al.   ACS Nano

Surface-hopping dynamics and decoherence with quantum equilibrium structure

(2008) Robbie Grunwald et al.   JOURNAL OF CHEMICAL PHYSICS

Stochastic surrogate Hamiltonian

(2008) Gil Katz et al.   JOURNAL OF CHEMICAL PHYSICS

Mixed quantum-classical equilibrium: Surface hopping

(2008) J. R. Schmidt et al.   JOURNAL OF CHEMICAL PHYSICS

Nonradiative Quenching of Fluorescence in a Semiconducting Carbon Nanotube: A Time-DomainAb InitioStudy

(2008) Bradley F. Habenicht et al.   PHYSICAL REVIEW LETTERS

Chemically Derived, Ultrasmooth Graphene Nanoribbon Semiconductors

(2008) X. Li et al.   SCIENCE

Coherent Control of Decoherence

(2008) M. P. A. Branderhorst et al.   SCIENCE