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Benjamin Kaduk

Showing results (1-10 of 7) with videos related to

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The Journal of Chemical Physics|August 17, 2010
Communication: Conical intersections using constrained density functional theory-configuration interactionBenjamin Kaduk, Troy Van Voorhis
The Journal of Chemical Physics|January 29, 2009
Constrained density functional theory based configuration interaction improves the prediction of reaction barrier heightsQin Wu, Benjamin Kaduk, Troy Van Voorhis
The Journal of Chemical Physics|May 17, 2014
Analytic energy gradients for constrained DFT-configuration interactionBenjamin Kaduk, Takashi Tsuchimochi, Troy Van Voorhis
Chemical Reviews|November 15, 2011
Constrained density functional theoryBenjamin Kaduk, Tim Kowalczyk, Troy Van Voorhis
The Journal of Chemical Physics|April 10, 2009
An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamicsSandy Yang, Joshua D Coe, Benjamin Kaduk, et al.
Annual Review of Physical Chemistry|January 9, 2010
The diabatic picture of electron transfer, reaction barriers, and molecular dynamicsTroy Van Voorhis, Tim Kowalczyk, Benjamin Kaduk, et al.
The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|August 17, 2010
Communication: Conical intersections using constrained density functional theory-configuration interactionBenjamin Kaduk, Troy Van Voorhis
The Journal of Chemical Physics|January 29, 2009
Constrained density functional theory based configuration interaction improves the prediction of reaction barrier heightsQin Wu, Benjamin Kaduk, Troy Van Voorhis
The Journal of Chemical Physics|May 17, 2014
Analytic energy gradients for constrained DFT-configuration interactionBenjamin Kaduk, Takashi Tsuchimochi, Troy Van Voorhis
Chemical Reviews|November 15, 2011
Constrained density functional theoryBenjamin Kaduk, Tim Kowalczyk, Troy Van Voorhis
The Journal of Chemical Physics|April 10, 2009
An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamicsSandy Yang, Joshua D Coe, Benjamin Kaduk, et al.
Annual Review of Physical Chemistry|January 9, 2010
The diabatic picture of electron transfer, reaction barriers, and molecular dynamicsTroy Van Voorhis, Tim Kowalczyk, Benjamin Kaduk, et al.
The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.
Pageof 1