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The Journal of Chemical Physics|November 13, 2004
An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitalsJoseph E Subotnik, Yihan Shao, Wanzhen Liang, et al.
The Journal of Chemical Physics|January 10, 2019
Configuration interaction singles with spin-orbit coupling: Constructing spin-adiabatic states and their analytical nuclear gradientsNicole Bellonzi, Gregory R Medders, Evgeny Epifanovsky, et al.
The Journal of Physical Chemistry Letters|August 24, 2025
Conical Intersections and Electronic Momentum as Viewed from Phase Space Electronic Structure TheoryTitouan Duston, Nadine C Bradbury, Zhen Tao, et al.
The Journal of Physical Chemistry. A|January 23, 2014
Analysis of localized diabatic states beyond the condon approximation for excitation energy transfer processesEthan C Alguire, Shervin Fatehi, Yihan Shao, et al.
The Journal of Chemical Physics|January 11, 2024
Linear and angular momentum conservation in surface hopping methodsYanze Wu, Jonathan Rawlinson, Robert G Littlejohn, et al.
The Journal of Chemical Physics|April 17, 2009
Nonequilibrium steady state transport via the reduced density matrix operatorJoseph E Subotnik, Thorsten Hansen, Mark A Ratner, 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|October 10, 2015
Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibilityAmber Jain, Michael F Herman, Wenjun Ouyang, et al.
The Journal of Chemical Physics|June 25, 2009
The initial and final states of electron and energy transfer processes: diabatization as motivated by system-solvent interactionsJoseph E Subotnik, Robert J Cave, Ryan P Steele, et al.
The Journal of Physical Chemistry Letters|April 26, 2022
Quantum Simulations of Vibrational Strong Coupling via Path IntegralsTao E Li, Abraham Nitzan, Sharon Hammes-Schiffer, et al.
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