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Journal of Chemical Theory and Computation|March 21, 2025
Diabatic States of Charge Transfer with Constrained Charge EquilibrationSohang Kundu, Hong-Zhou Ye, Timothy C BerkelbachThe Journal of Chemical Physics|March 29, 2013
Microscopic theory of singlet exciton fission. I. General formulationTimothy C Berkelbach, Mark S Hybertsen, David R ReichmanThe Journal of Physical Chemistry Letters|January 21, 2021
Regional Embedding Enables High-Level Quantum Chemistry for Surface ScienceBryan T G Lau, Gerald Knizia, Timothy C BerkelbachJournal of Chemical Theory and Computation|August 15, 2022
Integral-Direct Hartree-Fock and Møller-Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene CrystalSylvia J Bintrim, Timothy C Berkelbach, Hong-Zhou YeThe Journal of Chemical Physics|July 9, 2016
On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamicsHsing-Ta Chen, Timothy C Berkelbach, David R ReichmanThe Journal of Chemical Physics|March 3, 2012
Reduced density matrix hybrid approach: application to electronic energy transferTimothy C Berkelbach, Thomas E Markland, David R ReichmanThe Journal of Chemical Physics|July 9, 2021
Dynamical correlation energy of metals in large basis sets from downfolding and composite approachesJames M Callahan, Malte F Lange, Timothy C BerkelbachThe Journal of Chemical Physics|January 28, 2012
Reduced density matrix hybrid approach: an efficient and accurate method for adiabatic and non-adiabatic quantum dynamicsTimothy C Berkelbach, David R Reichman, Thomas E MarklandThe Journal of Chemical Physics|November 23, 2015
Extending the applicability of Redfield theories into highly non-Markovian regimesAndrés Montoya-Castillo, Timothy C Berkelbach, David R ReichmanPhysical Review Letters|April 7, 2010
Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: a first-principles molecular dynamics studyTimothy C Berkelbach, Hee-Seung Lee, Mark E TuckermanPageof 15