Maitra, Neepa T.
- Effect of Many Modes on Self-Polarization and Photochemical Suppression in Cavities
2020/01/21 by Hoffmann, Norah M., Lacombe, Lionel, Rubio, Angel +1 · 6 citations
#FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Quantum Physics (quant-ph)
- Double and Charge-Transfer Excitations in Time-Dependent Density Functional Theory
2021/07/12 by Maitra, Neepa T. · 6 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
2025/02/20 by Léon E. Cigrang, Léon L. E. Cigrang, Basile F. E. Curchod +90 · 2 voices · 6 citations
Physics and Astronomy · Chemistry · #Spectroscopy and Quantum Chemical Studies #Photochemistry and Electron Transfer Studies #Advanced Chemical Physics Studies
- Laser-induced electron localization in H2+: Mixed quantum-classical dynamics based on the exact time-dependent potential energy surface
2015/06/12 by Suzuki, Yasumitsu, Abedi, Ali, Maitra, Neepa T. +1 · 2 citations
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Quantum Physics (quant-ph)
- Reformulation of Time-Dependent Density Functional Theory for Non-Perturbative Dynamics: The Rabi Oscillation Problem Resolved
2024/04/22 by Davood B. Dar, Dar, Davood B., Anna A. Baranova +3 · 6 citations
Mathematics · Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Gas Dynamics and Kinetic Theory #Quantum Electrodynamics and Casimir Effect
- The Coupled-Trajectory Mixed Quantum-Classical Algorithm: A Deconstruction
2018/05/09 by Gossel, Graeme H., Agostini, Federica, Maitra, Neepa T. · 2 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- Exact-factorization-based surface-hopping without velocity adjustment
2024/01/12 by Lucien Dupuy, Anton Rikus, Dupuy, Lucien +3 · 4 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Spectroscopy and Quantum Chemical Studies
- Minimizing the time-dependent density functional error in Ehrenfest dynamics
2021/06/25 by Lacombe, Lionel, Maitra, Neepa T. · 2 citations
#Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences
- Exact Factorization Adventures: A Promising Approach for Non-bound States
2022/05/13 by Arribas, Evaristo Villaseco, Agostini, Federica, Maitra, Neepa T. · 2 citations
#Atomic Physics (physics.atom-ph) #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Other Condensed Matter (cond-mat.other) #Quantum Physics (quant-ph)
- Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent
2024/05/01 by Evaristo Villaseco Arribas, Neepa T. Maitra, Arribas, Evaristo Villaseco +1 · 3 citations
Chemistry · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Spectroscopy and Structure #Molecular spectroscopy and chirality #Spectroscopy and Quantum Chemical Studies
- Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory
2023/09/16 by Davood B. Dar, Dar, Davood B., Neepa T. Maitra +1 · 3 citations
Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Spectroscopy and Quantum Chemical Studies
- Density-matrix coupled time-dependent exchange-correlation functional approximations
2018/09/19 by Lacombe, Lionel, Maitra, Neepa T. · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- Capturing the elusive curve-crossing in low-lying states of butadiene with dressed TDDFT
2024/10/29 by Davood B. Dar, Dar, Davood B., Neepa T. Maitra +1 · 4 citations
Chemistry · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Mechanical and Optical Resonators #Photorefractive and Nonlinear Optics
- Exact-Factorization-Based Surface-Hopping for Multi-State Dynamics
2021/12/06 by Patricia Vindel-Zandbergen, Spiridoula Matsika, Vindel-Zandbergen, Patricia +3 · 1 citation
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular spectroscopy and chirality #Quantum Physics (quant-ph) #Spectroscopy and Quantum Chemical Studies
- Curing the Divergence in Time-Dependent Density Functional Quadratic Response Theory
2022/11/17 by Dar, Davood, Roy, Saswata, Maitra, Neepa T. · 1 citation
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences