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2009 Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study Timothy C Berkelbach · Physical Review Letters · Scholar only 271 2009 Modeling energy dependence of the inner-shell x-ray emission produced by femtosecond-pulse laser irradiation of xenon clusters Timothy C Berkelbach · Physical Review E—Statistical, Nonlinear, and Soft Matter Physics · Scholar only 13 2009 Optimizing the switching function for nonequilibrium free-energy calculations: An on-the-fly approach Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 12 2011 Quantum quench spectroscopy of a Luttinger liquid: Ultrarelativistic density wave dynamics due to fractionalization in an chain Timothy C Berkelbach · Physical Review B—Condensed Matter and Materials Physics · Scholar only 35 2012 Reduced density matrix hybrid approach: An efficient and accurate method for adiabatic and non-adiabatic quantum dynamics Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 84 2012 Reduced density matrix hybrid approach: Application to electronic energy transfer Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 84 2013 Coherent quantum dynamics in donor–bridge–acceptor systems: beyond the hopping and super-exchange mechanisms Timothy C Berkelbach · New Journal of Physics · Scholar only 42 2013 Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide Timothy C Berkelbach · Nature Materials · Scholar only 2,663 2013 Impact of molecular symmetry on single-molecule conductance Timothy C Berkelbach · Journal of the American Chemical Society · Scholar only 92 2013 Microscopic theory of singlet exciton fission. I. General formulation Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 336 2013 Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 480 2013 Theory of neutral and charged excitons in monolayer transition metal dichalcogenides Timothy C Berkelbach · Physical Review B · Scholar only 1,275 2013 The Quantum Coherent Mechanism for Singlet Fission: Experiment and Theory Timothy C Berkelbach · Accounts of Chemical Research · Scholar only 393 2014 Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2 Timothy C Berkelbach · Physical Review Letters · Scholar only 3,341 2014 Length-dependent conductance of oligothiophenes Timothy C Berkelbach · Journal of the American Chemical Society · Scholar only 185 2014 Microscopic theory of singlet exciton fission. III. Crystalline pentacene Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 226 2014 Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene Timothy C Berkelbach · Journal of the American Chemical Society · Scholar only 158 2014 Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist Timothy C Berkelbach · Nano Letters · Scholar only 393 2015 Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo Timothy C Berkelbach · Physical Review B · Scholar only 136 2015 Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides Timothy C Berkelbach · Physical Review B · Scholar only 107 2015 Extending the applicability of Redfield theories into highly non-Markovian regimes Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 80 2015 Observation of biexcitons in monolayer WSe2 Timothy C Berkelbach · Nature Physics · Scholar only 895 2015 Observation of excitonic Rydberg states in monolayer MoS2 and WS2 by photoluminescence excitation spectroscopy Timothy C Berkelbach · Nano Letters · Scholar only 529 2016 On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 21 2016 Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to the GW and related approximations Timothy C Berkelbach · Physical Review B · Scholar only 119 2017 Coulomb engineering of the bandgap and excitons in two-dimensional materials Timothy C Berkelbach · Nature communications · Scholar only 1,001 2017 Electronic structure and dynamics of singlet fission in organic molecules and crystals Timothy C Berkelbach · Advances in Chemical Physics · Scholar only 21 2017 Gaussian and plane-wave mixed density fitting for periodic systems Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 128 2017 Gaussian-based coupled-cluster theory for the ground-state and band structure of solids Timothy C Berkelbach · Journal of chemical theory and computation · Scholar only 310 2017 Linear and nonlinear spectroscopy from quantum master equations Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 76 2018 Communication: Random-phase approximation excitation energies from approximate equation-of-motion coupled-cluster doubles Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 38 2018 Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors Timothy C Berkelbach · Physical Review B · Scholar only 154 2018 On The Relation between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation Timothy C Berkelbach · Journal of Chemical Theory and Computation · Scholar only 106 2018 Optical and excitonic properties of atomically thin transition-metal dichalcogenides Timothy C Berkelbach · Annual Review of Condensed Matter Physics · Scholar only 107 2018 PySCF: the Python‐based simulations of chemistry framework Timothy C Berkelbach · Wiley Interdisciplinary Reviews: Computational Molecular Science · Scholar only 2,521 2019 Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities Timothy C Berkelbach · Physical Review Letters · Scholar only 22 2019 Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration Timothy C Berkelbach · Journal of Chemical Theory and Computation · Scholar only 32 2019 Coupled-cluster impurity solvers for dynamical mean-field theory Timothy C Berkelbach · Physical Review B · Scholar only 81 2019 Dielectric disorder in two-dimensional materials Timothy C Berkelbach · Nature nanotechnology · Scholar only 480 2019 Large Band Edge Tunability in Colloidal Nanoplatelets Timothy C Berkelbach · Nano letters · Scholar only 28 2019 Many-body simulation of two-dimensional electronic spectroscopy of excitons and trions in monolayer transition metal dichalcogenides Timothy C Berkelbach · Nature communications · Scholar only 90 2019 Optical Properties of Layered Hybrid Organic-Inorganic Halide Perovskites: A Tight-Binding GW-BSE Study Timothy C Berkelbach · The Journal of Physical Chemistry Letters · Scholar only 91 2019 Vertex Corrections to the Polarizability Do Not Improve the GW Approximation for the Ionization Potential of Molecules Timothy C Berkelbach · Journal of chemical theory and computation · Scholar only 61 2020 Ab Initio Linear and Pump–Probe Spectroscopy of Excitons in Molecular Crystals Timothy C Berkelbach · The Journal of Physical Chemistry Letters · Scholar only 9 2020 Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states Timothy C Berkelbach · Molecular physics · Scholar only 18 2020 A unification of the Holstein polaron and dynamic disorder pictures of charge transport in organic crystals Timothy C Berkelbach · Physical Review X · Scholar only 91 2020 Excitons in solids from periodic equation-of-motion coupled-cluster theory Timothy C Berkelbach · Journal of Chemical Theory and Computation · Scholar only 101 2020 Improved fast randomized iteration approach to full configuration interaction Timothy C Berkelbach · Journal of Chemical Theory and Computation · Scholar only 18 2020 Quantum plasmons and intraband excitons in doped nanoparticles: Insights from quantum chemistry Timothy C Berkelbach · The Journal of Chemical Physics · Scholar only 8 2020 Recent developments in the PySCF program package Timothy C Berkelbach · The Journal of chemical physics · Scholar only 1,696
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2009 · article · journal

Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study

Physical Review Letters · Timothy C Berkelbach

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271Scholar citations
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title Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study (used)
year 2009 (used)
venue Physical Review Letters (used)
kind other (used)
first author Berkelbach (used)

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