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The Journal of Chemical Physics
|
May 12, 2009
Optimizing the switching function for nonequilibrium free-energy calculations: an on-the-fly approach
Gerrick E Lindberg, Timothy C Berkelbach, Feng Wang
Journal of Chemical Theory and Computation
|
March 21, 2025
Diabatic States of Charge Transfer with Constrained Charge Equilibration
Sohang Kundu, Hong-Zhou Ye, Timothy C Berkelbach
The Journal of Chemical Physics
|
March 29, 2013
Microscopic theory of singlet exciton fission. I. General formulation
Timothy C Berkelbach, Mark S Hybertsen, David R Reichman
The Journal of Physical Chemistry Letters
|
January 21, 2021
Regional Embedding Enables High-Level Quantum Chemistry for Surface Science
Bryan T G Lau, Gerald Knizia, Timothy C Berkelbach
Journal 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 Crystal
Sylvia J Bintrim, Timothy C Berkelbach, Hong-Zhou Ye
The Journal of Chemical Physics
|
July 9, 2016
On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics
Hsing-Ta Chen, Timothy C Berkelbach, David R Reichman
The Journal of Chemical Physics
|
March 3, 2012
Reduced density matrix hybrid approach: application to electronic energy transfer
Timothy C Berkelbach, Thomas E Markland, David R Reichman
The Journal of Chemical Physics
|
July 9, 2021
Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches
James M Callahan, Malte F Lange, Timothy C Berkelbach
The Journal of Chemical Physics
|
January 28, 2012
Reduced density matrix hybrid approach: an efficient and accurate method for adiabatic and non-adiabatic quantum dynamics
Timothy C Berkelbach, David R Reichman, Thomas E Markland
The Journal of Chemical Physics
|
November 23, 2015
Extending the applicability of Redfield theories into highly non-Markovian regimes
Andrés Montoya-Castillo, Timothy C Berkelbach, David R Reichman
Page
of 9
Search research articles
Search
Showing results (31-40 of 85) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
May 12, 2009
Optimizing the switching function for nonequilibrium free-energy calculations: an on-the-fly approach
Gerrick E Lindberg, Timothy C Berkelbach, Feng Wang
Journal of Chemical Theory and Computation
|
March 21, 2025
Diabatic States of Charge Transfer with Constrained Charge Equilibration
Sohang Kundu, Hong-Zhou Ye, Timothy C Berkelbach
The Journal of Chemical Physics
|
March 29, 2013
Microscopic theory of singlet exciton fission. I. General formulation
Timothy C Berkelbach, Mark S Hybertsen, David R Reichman
The Journal of Physical Chemistry Letters
|
January 21, 2021
Regional Embedding Enables High-Level Quantum Chemistry for Surface Science
Bryan T G Lau, Gerald Knizia, Timothy C Berkelbach
Journal 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 Crystal
Sylvia J Bintrim, Timothy C Berkelbach, Hong-Zhou Ye
The Journal of Chemical Physics
|
July 9, 2016
On the accuracy of the Padé-resummed master equation approach to dissipative quantum dynamics
Hsing-Ta Chen, Timothy C Berkelbach, David R Reichman
The Journal of Chemical Physics
|
March 3, 2012
Reduced density matrix hybrid approach: application to electronic energy transfer
Timothy C Berkelbach, Thomas E Markland, David R Reichman
The Journal of Chemical Physics
|
July 9, 2021
Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches
James M Callahan, Malte F Lange, Timothy C Berkelbach
The Journal of Chemical Physics
|
January 28, 2012
Reduced density matrix hybrid approach: an efficient and accurate method for adiabatic and non-adiabatic quantum dynamics
Timothy C Berkelbach, David R Reichman, Thomas E Markland
The Journal of Chemical Physics
|
November 23, 2015
Extending the applicability of Redfield theories into highly non-Markovian regimes
Andrés Montoya-Castillo, Timothy C Berkelbach, David R Reichman
Page
of 9