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Neepa T. Maitra

Rutgers University

36H指数
183论文数
5.7K被引数
收录论文 40
发表时间
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Correction to “Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene With Dressed TDDFT”对“利用‘穿衣’TDDFT捕获丁二烯低能态中的 elusive 曲线交叉”的勘误
errThe Journal of Physical Chemistry Letters
IF0
err2026-04-30
err0
errOAAI
errDavood B. Dar; Neepa T. Maitra
err分享
err收藏
Perspective on Many-Body Methods for Molecular Polaritonic Systems多体方法在分子极化子系统中的应用视角
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-17
err0
errOAAI
errNicholas Bauman; Leonardo A. Cunha; A. Eugene DePrince III; Johannes Flick; Jonathan J. Foley IV; Niranjan Govind; Gerrit Groenhof; Norah Hoffmann; Karol Kowalski; Xiaosong Li; Marcus Liebenthal; Neepa T. Maitra; Ruby Manderna; Mikuláš Matoušek; Ilia M. Mazin; Daniel Mejia-Rodriguez; Ajay Panyala; Bo Peng; Benjamin Peyton; Libor Veis; Nam Vu; Jared D. Weidman; Angela K. Wilson; Rhiannon A. Zarotiadis; Yu Zhang
err分享
err收藏
Excited-State Densities from Time-Dependent Density Functional Response Theory基于时间依赖密度泛函响应理论激发态密度
errJournal of Chemical Theory and Computation
IF5.5
err2025-10-10
err0
errOAAI
errAnna Baranova; Neepa T. Maitra
err分享
err收藏
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics非绝热动力学中分子基准的研究路线图
errThe Journal of Physical Chemistry A
IF0
err2025-07-15
err0
errOAAI
errLéon L. E. Cigrang; Basile F. E. Curchod; Rebecca A. Ingle; Aaron Kelly; Jonathan R. Mannouch; Davide Accomasso; Alexander Alijah; Mario Barbatti; Wiem Chebbi; Nadja Došlić; Elliot C. Eklund; Sebastian Fernandez-Alberti; Antonia Freibert; Leticia González; Giovanni Granucci; Federico J. Hernández; Javier Hernández-Rodríguez; Amber Jain; Jiří Janoš; Ivan Kassal; Adam Kirrander; Zhenggang Lan; Henrik R. Larsson; David Lauvergnat; Brieuc Le Dé; Yeha Lee; Neepa T. Maitra; Seung Kyu Min; Daniel Peláez; David Picconi; Zixing Qiu; Umberto Raucci; Patrick Robertson; Eduarda Sangiogo Gil; Marin Sapunar; Peter Schürger; Patrick Sinnott; Sergei Tretiak; Arkin Tikku; Patricia Vindel-Zandbergen; Graham A. Worth; Federica Agostini; Sandra Gómez; Lea M. Ibele; Antonio Prlj
err分享
err收藏
Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFT捕获丁二烯低 lying 状态中难以捉摸的曲线交叉现象，使用 dressed TDDFT。
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-01-10
err2
errOAAI
errDar, Davood B.; Maitra, Neepa T.
err分享
err收藏
Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-10-01
err1
errOAAI
errDupuy, Lucien; Maitra, Neepa T.
err分享
err收藏
Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-02
err6
PREAI
errArribas, Evaristo Villaseco; Maitra, Neepa T.; Agostini, Federica
err分享
err收藏
Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-01
err4
errOAAI
errDar, Davood B.; Maitra, Neepa T.
err分享
err收藏
Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-18
err10
errOAAI
errArribas, Evaristo Villaseco; Ibele, Lea M.; Lauvergnat, David; Maitra, Neepa T.; Agostini, Federica
err分享
err收藏
Non-adiabatic approximations in time-dependent density functional theory: progress and prospects
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2023-07-13
err11
errOAAI
errLacombe, Lionel; Maitra, Neepa T.
err分享
err收藏
Energy-conserving coupled trajectory mixed quantum-classical dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-25
err7
errOAAI
errArribas, Evaristo Villaseco; Maitra, Neepa T.
err分享
err收藏
The exact exchange-correlation potential in time-dependent density functional theory: Choreographing electrons with steps and peaks
errCHEMICAL PHYSICS REVIEWS
IF6.2
err2022-09-30
err6
errOAAI
errDar, Davood; Lacombe, Lionel; Maitra, Neepa T.
err分享
err收藏
Exact Factorization Adventures: A Promising Approach for Non-Bound States
errMOLECULES
IF4.6
err2022-06-22
err17
errOAAI
errArribas, Evaristo Villaseco; Agostini, Federica; Maitra, Neepa T.
err分享
err收藏
Double and Charge-Transfer Excitations in Time-Dependent Density Functional Theory时间相关密度泛函理论中的双重和电荷转移激发
errANNUAL REVIEW OF PHYSICAL CHEMISTRY
IF11.7
err2022-04-20
err36
errOAAI
errMaitra, Neepa T.
err分享
err收藏
Analysis of the classical trajectory treatment of photon dynamics for polaritonic phenomena
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-02-01
err12
errOAAI
errRosenzweig, Bart; Hoffmann, Norah M.; Lacombe, Lionel; Maitra, Neepa T.
err分享
err收藏
Study of the Decoherence Correction Derived from the Exact Factorization Approach for Nonadiabatic Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-06-17
err30
errOAAI
errVindel-Zandbergen, Patricia; Ibele, Lea M.; Ha, Jong-Kwon; Min, Seung Kyu; Curchod, Basile F. E.; Maitra, Neepa T.
err分享
err收藏
Case studies of the time-dependent potential energy surface for dynamics in cavities
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-06
err15
errOAAI
errMartinez, Phillip; Rosenzweig, Bart; Hoffmann, Norah M.; Lacombe, Lionel; Maitra, Neepa T.
err分享
err收藏
Effect of many modes on self-polarization and photochemical suppression in cavities
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-09-09
err52
errOAAI
errHoffmann, Norah M.; Lacombe, Lionel; Rubio, Angel; Maitra, Neepa T.
err分享
err收藏
Developing new and understanding old approximations in TDDFT
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err12
PREAI
errLacombe, Lionel; Maitra, Neepa T.
err分享
err收藏
New density-functional approximations and beyond: general discussion
errFARADAY DISCUSSIONS
IF3.1
err2020-01-01
err1
PREAI
errBrandenburg, Jan Gerit; Burke, Kieron; Cancio, Antonio; Erhard, Jannis; Fromager, Emmanuel; Ghosal, Abhisek; Gidopoulos, Nikitas; Gori-Giorgi, Paola; Helgaker, Trygve; Hourahine, Ben; Jacob, Christoph R.; Kooi, Derk; Maitra, Neepa; Mulay, Manasi R.; Pernal, Katarzyna; Pribram-Jones, Aurora; Reining, Lucia; Romaniello, Pina; Ryder, Matthew R.; Savin, Andreas; Skylaris, Chris-Kriton; Teale, Andrew M.; Tozer, David; Truhlar, Donald G.; Yang, Weitao
err分享
err收藏

研究方向

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合作学者
合作期刊
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
Á
Ángel Rubio
H 指数: 128 · 论文数: 1.3K
W
Weitao Yang
H 指数: 96 · 论文数: 563
S
Sergei Tretiak
H 指数: 88 · 论文数: 739
T
Trygve Helgaker
H 指数: 87 · 论文数: 435
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