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The Journal of Chemical Physics|July 9, 2025
Evaluating the gradients of localized diabatic state energies and couplings at minimum costVishikh Athavale, Joseph E Subotnik, Tian QiuThe Journal of Physical Chemistry. A|September 2, 2020
Chemical Reaction Rates for Systems with Spin-Orbit Coupling and an Odd Number of Electrons: Does Berry's Phase Lead to Meaningful Spin-Dependent Nuclear Dynamics for a Two State Crossing?Yanze Wu, Gaohan Miao, Joseph E SubotnikJournal of Chemical Theory and Computation|February 18, 2025
Unveiling the Dance of Molecules: Rovibrational Dynamics of Molecules under Intense Illumination at Complex Plasmonic InterfacesMaxim Sukharev, Joseph E Subotnik, Abraham NitzanThe Journal of Chemical Physics|May 18, 2026
Electron transfer, diabatic couplings, and vibronic energy gaps in a phase space electronic structure frameworkZain Zaidi, Xuezhi Bian, Joseph E SubotnikThe Journal of Chemical Physics|April 19, 2011
Simultaneous-trajectory surface hopping: a parameter-free algorithm for implementing decoherence in nonadiabatic dynamicsNeil Shenvi, Joseph E Subotnik, Weitao YangJournal of Chemical Theory and Computation|May 24, 2022
Methods to Calculate Electronic Excited-State Dynamics for Molecules on Large Metal Clusters with Many States: Ensuring Fast Overlap Calculations and a Robust Choice of PhaseHsing-Ta Chen, Junhan Chen, D Vale Cofer-Shabica, et al.Physical Chemistry Chemical Physics : PCCP|October 25, 2007
Localized orbital theory and ammonia triboraneJoseph E Subotnik, Alex Sodt, Martin Head-GordonNature Communications|July 20, 2022
Energy-efficient pathway for selectively exciting solute molecules to high vibrational states via solvent vibration-polariton pumpingTao E Li, Abraham Nitzan, Joseph E SubotnikThe Journal of Chemical Physics|September 1, 2006
A near linear-scaling smooth local coupled cluster algorithm for electronic structureJoseph E Subotnik, Alex Sodt, Martin Head-GordonThe Journal of Chemical Physics|November 30, 2006
Linear scaling density fittingAlex Sodt, Joseph E Subotnik, Martin Head-GordonPageof 22