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Faraday Discussions|September 14, 2020
Developing new and understanding old approximations in TDDFTLionel Lacombe, Neepa T MaitraThe Journal of Chemical Physics|October 1, 2024
Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplingsLucien Dupuy, Neepa T MaitraPhysical Review Letters|June 6, 2020
Embedding via the Exact Factorization ApproachLionel Lacombe, Neepa T MaitraThe Journal of Chemical Physics|December 1, 2023
Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theoryDavood B Dar, Neepa T MaitraThe Journal of Chemical Physics|May 26, 2007
Improved exchange-correlation potential for polarizability and dissociation in density functional theoryNeepa T Maitra, Meta van FaassenThe Journal of Chemical Physics|April 25, 2023
Energy-conserving coupled trajectory mixed quantum-classical dynamicsEvaristo Villaseco Arribas, Neepa T MaitraThe Journal of Physical Chemistry Letters|January 10, 2025
Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFTDavood B Dar, Neepa T MaitraPhysical Chemistry Chemical Physics : PCCP|March 20, 2014
Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved long-range charge transferJohanna I Fuks, Neepa T MaitraPhysical Chemistry Chemical Physics : PCCP|May 29, 2009
Autoionizing resonances in time-dependent density functional theoryAugust J Krueger, Neepa T MaitraPhysical Review Letters|December 23, 2024
Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden AgentEvaristo Villaseco Arribas, Neepa T MaitraPageof 6