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F

Federica Agostini

universite paris-saclay and cnrs

27H指数
134论文数
2.2K被引数
收录论文 36
发表时间
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A Coupled-Trajectory Strategy for Decoherence; Frustrated Hops and Internal Consistency in Surface Hopping退相干问题的耦合轨迹策略；表面跳跃中的挫败跳跃与内部一致性
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-23
err0
PREAI
errLea M. Ibele; Eduarda Sangiogo Gil; Peter Schürger; Brieuc Le Dé; Rodrigue Noc; Federica Agostini
err分享
err收藏
A pictorial (and hopefully pedagogical) discussion on the Born-Oppenheimer approximation关于 Born-Oppenheimer 近似的图示性（并希望具有教学性）的讨论
errFOUNDATIONS OF CHEMISTRY
IF1.4
err2025-11-01
err1
errOAAI
errAgostini, Federica; Curchod, Basile F. E.
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
On the connection between the exact factorization and the Born-Huang representation of the molecular wavefunction关于精确因式分解与分子波函数的Born-Huang表示之间的联系
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-05-15
err0
PREAI
errSchurger, Peter; Lassmann, Yorick; Agostini, Federica; Curchod, Basile F. E.
err分享
err收藏
Structural elucidation of the main coloured compounds of Justicia spicigera based on experimental and computational electronic features基于实验和计算电子特征的 Justicia spicigera 主要着色化合物的结构解析
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2025-05-14
err0
PREAI
errArberet, Lucie; Ibele, Lea-Maria; Blond, Alain; Michelin, Anne; Nowik, Witold; Tchapla, Alain; Agostini, Federica; Andraud, Christine; Heron, Sylvie
err分享
err收藏
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-14
err0
PREAI
errSchurger, Peter; Ibele, Lea M.; Lauvergnat, David; Agostini, Federica
err分享
err收藏
Modeling the Kohn-Sham potential for molecular dissociation with orbital-independent functionals: A proof of principle
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-07
err0
errOAAI
errGiarrusso, Sara; Agostini, Federica
err分享
err收藏
Exact factorization of the photon-electron-nuclear wavefunction: Formulation and coupled-trajectory dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-27
err2
PREAI
errGil, Eduarda Sangiogo; Lauvergnat, David; Agostini, Federica
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
Investigating the Photodynamics of trans-Azobenzene with Coupled Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-04
err11
errOAAI
errPieroni, Carlotta; Gil, Eduarda Sangiogo; Ibele, Lea M.; Persico, Maurizio; Granucci, Giovanni; Agostini, Federica
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
Influence of the environment on the infrared spectrum of alanine: An effective mode analysis
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-01
err5
errOAAI
errBowles, Jessica; Jahnigen, Sascha; Vuilleumier, Rodolphe; Calvo, Florent; Clavaguera, Carine; Agostini, Federica
err分享
err收藏
Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-17
err10
errOAAI
errDupuy, Lucien; Talotta, Francesco; Agostini, Federica; Lauvergnat, David; Poirier, Bill; Scribano, Yohann
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
Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-09
err10
PREAI
errTalotta, Francesco; Lauvergnat, David; Agostini, Federica
err分享
err收藏
Chemistry without the Born-Oppenheimer approximation
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2022-03-28
err10
errOAAI
errAgostini, Federica; Curchod, Basile F. E.
err分享
err收藏
Quantum dynamics with curvilinear coordinates: models and kinetic energy operator
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2022-03-28
err6
errOAAI
errMarsili, Emanuele; Agostini, Federica; Nauts, Andre; Lauvergnat, David
err分享
err收藏
Nonadiabatic Dynamics with Coupled Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-10
err23
PREAI
errPieroni, Carlotta; Agostini, Federica
err分享
err收藏
Quantum-classical nonadiabatic dynamics of Floquet driven systems
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-03-15
err19
errOAAI
errSchiro, Marco; Eich, Florian G.; Agostini, Federica
err分享
err收藏
Relaxation dynamics through a conical intersection: Quantum and quantum-classical studies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-15
err12
errOAAI
errPieroni, Carlotta; Marsili, Emanuele; Lauvergnat, David; Agostini, Federica
err分享
err收藏

研究方向

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