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Federica Agostini
Federica Agostini
University Paris-Saclay
Verified email at universite-paris-saclay.fr - Homepage
Title
Cited by
Cited by
Year
Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes
SK Min, F Agostini, EKU Gross
Physical review letters 115 (7), 073001, 2015
1352015
Dynamical steps that bridge piecewise adiabatic shapes in the exact time-dependent potential energy surface
A Abedi, F Agostini, Y Suzuki, EKU Gross
Physical review letters 110 (26), 263001, 2013
1242013
Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence
EKUG Seung Kyu Min, Federica Agostini, Ivano Tavernelli
The Journal of Physical Chemistry Letters 8 (13), 3048, 2017
1222017
Quantum-Classical Non-Adiabatic Dynamics: Coupled-vs. Independent-Trajectory Methods
F Agostini, SK Min, A Abedi, EKU Gross
Journal of chemical theory and computation, 2016
1102016
The exact forces on classical nuclei in non-adiabatic charge transfer
F Agostini, A Abedi, Y Suzuki, SK Min, NT Maitra, EKU Gross
The Journal of chemical physics 142 (8), 084303, 2015
1042015
Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion
A Abedi, F Agostini, EKU Gross
EPL (Europhysics Letters) 106 (3), 33001, 2014
702014
Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function
A Scherrer, F Agostini, D Sebastiani, EKU Gross, R Vuilleumier
The Journal of chemical physics 143 (7), 074106, 2015
642015
On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation
A Scherrer, F Agostini, D Sebastiani, EKU Gross, R Vuilleumier
Phys. Rev. X 7 (3), 031035, 2017
632017
Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processes
F Agostini, A Abedi, Y Suzuki, EKU Gross
Molecular Physics 111 (22-23), 3625-3640, 2013
592013
Different flavors of nonadiabatic molecular dynamics
F Agostini, BFE Curchod
WIREs Computational Molecular Science 9 (5), e1417, 2019
572019
Classical nuclear motion coupled to electronic non-adiabatic transitions
F Agostini, A Abedi, EKU Gross
The Journal of chemical physics 141 (21), 214101, 2014
572014
On the Dynamics through a Conical Intersection
FA Basile. F. E. Curchod
The Journal of Physical Chemistry Letters 8 (4), 831, 2017
552017
Electronic Flux Density beyond the Born–Oppenheimer Approximation
A Schild, F Agostini, EKU Gross
The Journal of Physical Chemistry A, 2016
452016
The adiabatic limit of the exact factorization of the electron-nuclear wave function
FG Eich, F Agostini
The Journal of Chemical Physics 145 (5), 054110, 2016
442016
An Exact Factorization Perspective on Quantum Interferences in Nonadiabatic Dynamics
BFE Curchod, F Agostini, EKU Gross
The Journal of Chemical Physics 145 (3), 034103, 2016
402016
Do we have a consistent non-adiabatic quantum-classical mechanics?
F Agostini, S Caprara, G Ciccotti
EPL (Europhysics Letters) 78 (3), 30001, 2007
402007
CT-MQC – a coupled-trajectory mixed quantum/classical method including nonadiabatic quantum coherence effects
BFE Curchod, F Agostini, I Tavernelli
The European Physical Journal B 91, 168, 2018
372018
Semiclassical analysis of the electron‐nuclear coupling in electronic non‐adiabatic processes
F Agostini, SK Min, EKU Gross
Annalen der Physik 527 (9-10), 546-555, 2015
312015
Coupled-trajectory mixed quantum-classical algorithm: A deconstruction
GH Gossel, F Agostini, NT Maitra
Journal of chemical theory and computation 14 (9), 4513-4529, 2018
282018
Nuclear quantum effects in electronic (non)adiabatic dynamics
F Agostini, I Tavernelli, G Ciccotti
The European Physical Journal B 91, 139, 2018
282018
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