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The Journal of Physical Chemistry Letters|February 16, 2022
Exact-Factorization-Based Surface Hopping for Multistate DynamicsPatricia Vindel-Zandbergen, Spiridoula Matsika, Neepa T MaitraThe Journal of Chemical Physics|April 22, 2019
On the numerical solution of the exact factorization equationsGraeme H Gossel, Lionel Lacombe, Neepa T MaitraPhysical Review Letters|September 7, 2019
Exact Potential Energy Surface for Molecules in CavitiesLionel Lacombe, Norah M Hoffmann, Neepa T MaitraJournal of Chemical Theory and Computation|August 1, 2018
Coupled-Trajectory Mixed Quantum-Classical Algorithm: A DeconstructionGraeme H Gossel, Federica Agostini, Neepa T MaitraThe Journal of Chemical Physics|February 4, 2024
Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic statesEvaristo Villaseco Arribas, Neepa T Maitra, Federica AgostiniPhysical Review Letters|January 13, 2018
Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering ProcessesYasumitsu Suzuki, Lionel Lacombe, Kazuyuki Watanabe, et al.Journal of Chemical Theory and Computation|November 27, 2015
Revisiting Molecular Dissociation in Density Functional Theory: A Simple ModelDavid G Tempel, Todd J Martínez, Neepa T MaitraThe Journal of Chemical Physics|December 20, 2012
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunctionAli Abedi, Neepa T Maitra, E K U GrossPhysical Chemistry Chemical Physics : PCCP|March 10, 2017
Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspectiveElham Khosravi, Ali Abedi, Angel Rubio, et al.Physical Review Letters|September 28, 2010
Exact factorization of the time-dependent electron-nuclear wave functionAli Abedi, Neepa T Maitra, E K U GrossPageof 6