Neepa T. Maitra, Ph.D.

Affiliations: 
1998 Physics Harvard University, Cambridge, MA, United States 
 2000-2003 Chemistry Rutgers University, New Brunswick, New Brunswick, NJ, United States 
 2003- Physics Hunter College of the City University of New York, New York, NY, United States 
Website:
http://www.hunter.cuny.edu/physics/faculty/maitra/home
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Publications

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Dar DB, Maitra NT. (2025) Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFT. The Journal of Physical Chemistry Letters. 16: 703-709
Arribas EV, Maitra NT. (2024) Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent. Physical Review Letters. 133: 233201
Dar DB, Baranova A, Maitra NT. (2024) Reformulation of Time-Dependent Density Functional Theory for Nonperturbative Dynamics: The Rabi Oscillation Problem Resolved. Physical Review Letters. 133: 096401
Villaseco Arribas E, Maitra NT, Agostini F. (2024) Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states. The Journal of Chemical Physics. 160
Dar DB, Maitra NT. (2023) Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory. The Journal of Chemical Physics. 159
Arribas EV, Ibele LM, Lauvergnat D, et al. (2023) Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics. Journal of Chemical Theory and Computation. 19: 7787-7800
Villaseco Arribas E, Vindel-Zandbergen P, Roy S, et al. (2023) Different flavors of exact-factorization-based mixed quantum-classical methods for multistate dynamics. Physical Chemistry Chemical Physics : Pccp
Villaseco Arribas E, Maitra NT. (2023) Energy-conserving coupled trajectory mixed quantum-classical dynamics. The Journal of Chemical Physics. 158
Dar D, Roy S, Maitra NT. (2023) Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory. The Journal of Physical Chemistry Letters. 14: 3186-3192
Teale AM, Helgaker T, Savin A, et al. (2022) DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science. Physical Chemistry Chemical Physics : Pccp
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