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The Journal of Physical Chemistry. A|June 24, 2016
Comparison between GW and Wave-Function-Based Approaches: Calculating the Ionization Potential and Electron Affinity for 1D Hubbard ChainsQi Ou, Joseph E SubotnikJournal of Chemical Theory and Computation|November 30, 2017
Comparison between the Bethe-Salpeter Equation and Configuration Interaction Approaches for Solving a Quantum Chemistry Problem: Calculating the Excitation Energy for Finite 1D Hubbard ChainsQi Ou, Joseph E SubotnikThe 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 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|February 16, 2015
First-order derivative couplings between excited states from adiabatic TDDFT response theoryQi Ou, Gregory D Bellchambers, Filipp Furche, et al.The Journal of Chemical Physics|July 17, 2014
Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximationQi Ou, Shervin Fatehi, Ethan Alguire, et al.Accounts of Chemical Research|May 2, 2015
The requisite electronic structure theory to describe photoexcited nonadiabatic dynamics: nonadiabatic derivative couplings and diabatic electronic couplingsJoseph E Subotnik, Ethan C Alguire, Qi Ou, et al.The 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 SubotnikPageof 24