A unification of the Holstein polaron and dynamic disorder pictures of charge transport in organic crystals JH Fetherolf, D Golež, TC Berkelbach Physical Review X 10 (2), 021062, 2020 | 55 | 2020 |
Ab Initio Lifetime and Concomitant Double-Excitation Character of Plasmons at Metallic Densities AM Lewis, TC Berkelbach Physical Review Letters 122 (22), 226402, 2019 | 20 | 2019 |
Ab Initio Linear and Pump–Probe Spectroscopy of Excitons in Molecular Crystals AM Lewis, TC Berkelbach The Journal of Physical Chemistry Letters 11 (6), 2241-2246, 2020 | 5 | 2020 |
Ab initio quantum many-body description of superconducting trends in the cuprates ZH Cui, J Yang, J Tölle, HZ Ye, H Zhai, R Kim, X Zhang, L Lin, ... arXiv preprint arXiv:2306.16561, 2023 | 4 | 2023 |
Ab initio surface chemistry with chemical accuracy HZ Ye, TC Berkelbach arXiv preprint arXiv:2309.14640, 2023 | 2 | 2023 |
Absorption spectra of solids from periodic equation-of-motion coupled-cluster theory X Wang, TC Berkelbach Journal of Chemical Theory and Computation 17 (10), 6387-6394, 2021 | 17 | 2021 |
Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations S Debnath, VA Neufeld, LD Jacobson, B Rudshteyn, JL Weber, ... The Journal of Physical Chemistry A 127 (44), 9178-9184, 2023 | 3 | 2023 |
Accurate thermochemistry of covalent and ionic solids from spin-component-scaled MP2 T Goldzak, X Wang, HZ Ye, TC Berkelbach The Journal of Chemical Physics 157 (17), 2022 | 4 | 2022 |
Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states MF Lange, TC Berkelbach Molecular physics 118 (19-20), e1808726, 2020 | 11 | 2020 |
Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory HZ Ye, TC Berkelbach Faraday Discussions, 2024 | 2* | 2024 |
Anharmonic lattice dynamics from vibrational dynamical mean-field theory P Shih, TC Berkelbach Physical Review B 106 (14), 144307, 2022 | 4 | 2022 |
Anisotropically Fused Clusters Form a 2D Superatomic Sheet Exhibiting Polarized Light Emission T Handa, P Shih, CS Koay, C Nuckolls, X Roy, TC Berkelbach, X Zhu The Journal of Physical Chemistry C 127 (3), 1519-1526, 2023 | 4 | 2023 |
Approximating matrix eigenvalues by subspace iteration with repeated random sparsification SM Greene, RJ Webber, TC Berkelbach, J Weare SIAM Journal on Scientific Computing 44 (5), A3067-A3097, 2022 | 5 | 2022 |
Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration SM Greene, RJ Webber, J Weare, TC Berkelbach Journal of Chemical Theory and Computation 15 (9), 4834, 2019 | 24 | 2019 |
Binding energies and spatial structures of small carrier complexes in monolayer transition-metal dichalcogenides via diffusion Monte Carlo MZ Mayers, TC Berkelbach, MS Hybertsen, DR Reichman Physical Review B 92 (16), 161404, 2015 | 115 | 2015 |
Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition-metal dichalcogenides TC Berkelbach, MS Hybertsen, DR Reichman Physical Review B 92 (8), 085413, 2015 | 94 | 2015 |
Can spin-component scaled MP2 achieve kJ/mol accuracy for cohesive energies of molecular crystals? YH Liang, HZ Ye, TC Berkelbach The Journal of Physical Chemistry Letters 14 (46), 10435-10441, 2023 | 1 | 2023 |
Coherent quantum dynamics in donor–bridge–acceptor systems: beyond the hopping and super-exchange mechanisms S Jang, TC Berkelbach, DR Reichman New Journal of Physics 15 (10), 105020, 2013 | 34 | 2013 |
Communication: Random-phase approximation excitation energies from approximate equation-of-motion coupled-cluster doubles TC Berkelbach The Journal of Chemical Physics 149 (4), 2018 | 22 | 2018 |
Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study TC Berkelbach, HS Lee, ME Tuckerman Physical Review Letters 103 (23), 238302, 2009 | 244 | 2009 |