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The Journal of Physical Chemistry. B|August 5, 2014
Derivative Couplings between Time-Dependent Density Functional Theory Excited States in the Random-Phase Approximation Based on Pseudo-Wavefunctions: Behavior around Conical IntersectionsQi Ou, Ethan C Alguire, Joseph E SubotnikThe Journal of Physical Chemistry. B|August 23, 2014
Calculating Derivative Couplings between Time-Dependent Hartree-Fock Excited States with Pseudo-WavefunctionsEthan C Alguire, Qi Ou, Joseph E SubotnikThe Journal of Physical Chemistry. A|December 13, 2022
Effect of Duschinskii Rotations on Spin-Dependent Electron Transfer DynamicsSuraj S Chandran, Yanze Wu, Joseph E SubotnikJournal of Chemical Theory and Computation|August 27, 2025
A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent MoleculesVishikh Athavale, D Vale Cofer-Shabica, Joseph E SubotnikJournal of Chemical Theory and Computation|February 13, 2019
Comparison of Different Classical, Semiclassical, and Quantum Treatments of Light-Matter Interactions: Understanding Energy ConservationTao E Li, Hsing-Ta Chen, Joseph E SubotnikJournal of Chemical Theory and Computation|August 27, 2016
Dynamics of Barrier Crossings for the Generalized Anderson-Holstein Model: Beyond Electronic Friction and Conventional Surface HoppingWenjun Ouyang, Wenjie Dou, Amber Jain, et al.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|March 17, 2018
A broadened classical master equation approach for treating electron-nuclear coupling in non-equilibrium transportWenjie Dou, Christian Schinabeck, Michael Thoss, et al.Pageof 22