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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 Maitra
The Journal of Chemical Physics|December 20, 2012
Correlated electron-nuclear dynamics: exact factorization of the molecular wavefunctionAli Abedi, Neepa T Maitra, E K U Gross
Physical 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 Gross
The Journal of Chemical Physics|July 23, 2004
Double excitations within time-dependent density functional theory linear responseNeepa T Maitra, Fan Zhang, Robert J Cave, et al.
The Journal of Chemical Physics|February 9, 2022
Analysis of the classical trajectory treatment of photon dynamics for polaritonic phenomenaBart Rosenzweig, Norah M Hoffmann, Lionel Lacombe, et al.
The Journal of Chemical Physics|October 9, 2012
Comparison of some dispersion-corrected and traditional functionals with CCSD(T) and MP2 ab initio methods: dispersion, induction, and basis set superposition errorDipankar Roy, Mateusz Marianski, Neepa T Maitra, et al.
The Journal of Chemical Physics|September 16, 2020
Effect of many modes on self-polarization and photochemical suppression in cavitiesNorah M Hoffmann, Lionel Lacombe, Angel Rubio, et al.
Physical Chemistry Chemical Physics : PCCP|October 16, 2015
Laser-induced electron localization in H₂⁺: mixed quantum-classical dynamics based on the exact time-dependent potential energy surfaceYasumitsu Suzuki, Ali Abedi, Neepa T Maitra, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2023
Different flavors of exact-factorization-based mixed quantum-classical methods for multistate dynamicsEvaristo Villaseco Arribas, Patricia Vindel-Zandbergen, Saswata Roy, et al.
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