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The Journal of Chemical Physics|November 14, 2020
Analytic gradients and derivative couplings for configuration interaction with all single excitations and one double excitation-En route to nonadiabatic dynamicsHung-Hsuan Teh, Joseph E SubotnikThe Journal of Physical Chemistry Letters|May 29, 2019
The Simplest Possible Approach for Simulating S0- S1 Conical Intersections with DFT/TDDFT: Adding One Doubly Excited ConfigurationHung-Hsuan Teh, Joseph E SubotnikThe Journal of Chemical Physics|October 23, 2021
On the inclusion of one double within CIS and TDDFTVishikh Athavale, Hung-Hsuan Teh, Joseph E SubotnikJournal of Chemical Theory and Computation|March 9, 2022
Incorporating Berry Force Effects into the Fewest Switches Surface-Hopping Algorithm: Intersystem Crossing and the Case of Electronic DegeneracyXuezhi Bian, Yanze Wu, Hung-Hsuan Teh, et al.The Journal of Chemical Physics|May 7, 2022
Electron transfer and spin-orbit coupling: Can nuclear motion lead to spin selective rates?Suraj S Chandran, Yanze Wu, Hung-Hsuan Teh, et al.The Journal of Chemical Physics|March 23, 2021
Modeling nonadiabatic dynamics with degenerate electronic states, intersystem crossing, and spin separation: A key goal for chemical physicsXuezhi Bian, Yanze Wu, Hung-Hsuan Teh, et al.The Journal of Chemical Physics|April 17, 2017
On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregatesHung-Hsuan Teh, Yuan-Chung ChengThe Journal of Physical Chemistry. A|October 15, 2011
Fewest-switches surface hopping and decoherence in multiple dimensionsJoseph E SubotnikThe Journal of Chemical Physics|April 15, 2010
Augmented Ehrenfest dynamics yields a rate for surface hoppingJoseph E SubotnikScience (New York, N.Y.)|October 12, 2023
Chiral molecules to transmit electron spinJoseph E SubotnikPageof 17