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The Journal of Chemical Physics|January 6, 2006
Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinatesJoseph E Subotnik, Anthony D Dutoi, Martin Head-GordonThe Journal of Chemical Physics|December 24, 2011
Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invarianceShervin Fatehi, Ethan Alguire, Yihan Shao, et al.The Journal of Physical Chemistry. A|December 20, 2014
Exploring non-Condon effects in a covalent tetracene dimer: how important are vibrations in determining the electronic coupling for singlet fission?Ethan C Alguire, Joseph E Subotnik, Niels H DamrauerThe Journal of Chemical Physics|June 21, 2013
Communication: an inexpensive, variational, almost black-box, almost size-consistent correction to configuration interaction singles for valence excited statesXinle Liu, Qi Ou, Ethan Alguire, et al.The Journal of Chemical Physics|December 11, 2013
Communication: The correct interpretation of surface hopping trajectories: how to calculate electronic propertiesBrian R Landry, Martin J Falk, Joseph E SubotnikThe Journal of Chemical Physics|June 4, 2024
A fast and smooth one-electron approach for investigating charge transfer states and D1-D0 crossings for systems with odd numbers of electronsTian Qiu, Xuezhi Bian, Zhen Tao, et al.The Journal of Chemical Physics|December 21, 2023
To guess or not to guess excited state amplitudes during optimization and dynamicsD Vale Cofer-Shabica, Vishikh Athavale, 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.Journal of Chemical Theory and Computation|February 3, 2026
Marcus Theory and the Condon Approximation Revisited I: E-SHAKE and Seam SamplingD Vale Cofer-Shabica, Jennifer R DeRosa, Joseph E SubotnikAnnual Review of Physical Chemistry|December 6, 2021
Molecular Polaritonics: Chemical Dynamics Under Strong Light-Matter CouplingTao E Li, Bingyu Cui, Joseph E Subotnik, et al.Pageof 22