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Journal of Chemical Theory and Computation|October 10, 2025
Excited-State Densities from Time-Dependent Density Functional Response TheoryAnna Baranova, Neepa T MaitraPhysical Review Letters|September 13, 2024
Reformulation of Time-Dependent Density Functional Theory for Nonperturbative Dynamics: The Rabi Oscillation Problem ResolvedDavood B Dar, Anna Baranova, Neepa T MaitraThe Journal of Chemical Physics|July 26, 2006
On correlated electron-nuclear dynamics using time-dependent density functional theoryNeepa T MaitraAnnual Review of Physical Chemistry|December 15, 2021
Double and Charge-Transfer Excitations in Time-Dependent Density Functional TheoryNeepa T MaitraThe Journal of Chemical Physics|July 13, 2005
Undoing static correlation: long-range charge transfer in time-dependent density-functional theoryNeepa T MaitraJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 3, 2017
Charge transfer in time-dependent density functional theoryNeepa T MaitraThe Journal of Chemical Physics|June 17, 2016
Perspective: Fundamental aspects of time-dependent density functional theoryNeepa T MaitraJournal of Chemical Theory and Computation|January 29, 2019
Density-Matrix Coupled Time-Dependent Exchange-Correlation Functional ApproximationsLionel Lacombe, Neepa T MaitraThe Journal of Chemical Physics|September 22, 2011
Electron correlation via frozen Gaussian dynamicsPeter Elliott, Neepa T MaitraThe Journal of Physical Chemistry Letters|August 31, 2021
Minimizing the Time-Dependent Density Functional Error in Ehrenfest DynamicsLionel Lacombe, Neepa T MaitraPageof 6