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Molecular Limit of a Bulk Semiconductor: Size Dependence of the “Band Gap” in CdSe Cluster Molecules
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Multiple excitons and the electron–phonon bottleneck in semiconductor quantum dots: An ab initio perspective
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July 2008 |
Time-domain ab initio modeling of excitation dynamics in quantum dots
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March 2014 |
Intraband relaxation in CdSe nanocrystals and the strong influence of the surface ligands
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August 2005 |
Excitation Energy Dependent Efficiency of Charge Carrier Relaxation and Photoluminescence in Colloidal InP Quantum Dots
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August 2002 |
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May 2018 |
Ultrafast energy relaxation in quantum dots
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December 1996 |
S PECTROSCOPY AND H OT E LECTRON R ELAXATION D YNAMICS IN S EMICONDUCTOR Q UANTUM W ELLS AND Q UANTUM D OTS
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Semiconductor Quantum Dots and Quantum Dot Arrays and Applications of Multiple Exciton Generation to Third-Generation Photovoltaic Solar Cells
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Efficient Inverse Auger Recombination at Threshold in CdSe Nanocrystals
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February 2004 |
Surface Ligands Increase Photoexcitation Relaxation Rates in CdSe Quantum Dots
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June 2012 |
Gating of hole transfer from photoexcited PbS quantum dots to aminoferrocene by the ligand shell of the dots
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January 2013 |
Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study
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September 2015 |
Mutlicolor electroluminescent Si quantum dots embedded in SiO_x thin film MOSLED with 24% external quantum efficiency
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Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
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October 2005 |
Regarding the validity of the time-dependent Kohn–Sham approach for electron-nuclear dynamics via trajectory surface hopping
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Ab Initio Nonadiabatic Molecular Dynamics of the Ultrafast Electron Injection from a PbSe Quantum Dot into the TiO 2 Surface
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Time-Domain Ab Initio Study of Phonon-Induced Relaxation of Plasmon Excitations in a Silver Quantum Dot
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Extremely Long Nonradiative Relaxation of Photoexcited Graphane Is Greatly Accelerated by Oxidation: Time-Domain Ab Initio Study
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Auger-Mediated Electron Relaxation Is Robust to Deep Hole Traps: Time-Domain Ab Initio Study of CdSe Quantum Dots
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Excited Electron Dynamics at Semiconductor–Molecule Type-II Heterojunction Interface: First-Principles Dynamics Simulation
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Molecular dynamics with electronic transitions
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Mixed quantum-classical equilibrium
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Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective
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Unified Approach for Molecular Dynamics and Density-Functional Theory
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July 2008 |
Ab Initio Study of Hot Carriers in the First Picosecond after Sunlight Absorption in Silicon
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June 2014 |
Aqueous solvation dynamics with a quantum mechanical Solute: Computer simulation studies of the photoexcited hydrated electron
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October 1994 |
Quantum decoherence in mixed quantum‐classical systems: Nonadiabatic processes
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Understanding the Surface Hopping View of Electronic Transitions and Decoherence
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Quantum decoherence and the isotope effect in condensed phase nonadiabatic molecular dynamics simulations
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Evaluation of quantum transition rates from quantum-classical molecular dynamics simulations
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October 1997 |
Semiclassical theory of coherence and decoherence
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Generalized Theory for the Timescale of Molecular Electronic Decoherence in the Condensed Phase
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February 2018 |
Semiclassical evaluation of nonadiabatic rates in condensed phases
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Relationship between Quantum Decoherence Times and Solvation Dynamics in Condensed Phase Chemical Systems
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Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution
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January 2004 |
Non-Born-Oppenheimer Liouville-von Neumann Dynamics. Evolution of a Subsystem Controlled by Linear and Population-Driven Decay of Mixing with Decoherent and Coherent Switching
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Critical appraisal of the fewest switches algorithm for surface hopping
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Architecture of Qbox: A scalable first-principles molecular dynamics code
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Non-Radiative Electron–Hole Recombination in Silicon Clusters: Ab Initio Non-Adiabatic Molecular Dynamics
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Identification of unavoided crossings in nonadiabatic photoexcited dynamics involving multiple electronic states in polyatomic conjugated molecules
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A Simple Solution to the Trivial Crossing Problem in Surface Hopping
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Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations
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Crossing Classified and Corrected Fewest Switches Surface Hopping
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July 2018 |