| Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes SK Min, F Agostini, EKU Gross Physical review letters 115 (7), 073001, 2015 | 185 | 2015 |
| 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 | 173 | 2017 |
| 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 | 163 | 2016 |
| 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 | 137 | 2013 |
| 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 | 116 | 2015 |
| Different flavors of nonadiabatic molecular dynamics F Agostini, BFE Curchod WIREs Computational Molecular Science 9 (5), e1417, 2019 | 105 | 2019 |
| 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 | 89 | 2017 |
| 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 | 83 | 2015 |
| On the Dynamics through a Conical Intersection FA Basile. F. E. Curchod The Journal of Physical Chemistry Letters 8 (4), 831, 2017 | 78 | 2017 |
| 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 | 76 | 2014 |
| 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 | 66 | 2013 |
| Classical nuclear motion coupled to electronic non-adiabatic transitions F Agostini, A Abedi, EKU Gross The Journal of chemical physics 141 (21), 214101, 2014 | 64 | 2014 |
| 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 | 55 | 2016 |
| 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 | 53 | 2018 |
| Electronic Flux Density beyond the Born–Oppenheimer Approximation A Schild, F Agostini, EKU Gross The Journal of Physical Chemistry A, 2016 | 51 | 2016 |
| 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 | 50 | 2016 |
| Do we have a consistent non-adiabatic quantum-classical mechanics? F Agostini, S Caprara, G Ciccotti EPL (Europhysics Letters) 78 (3), 30001, 2007 | 44 | 2007 |
| Ultrafast dynamics with the exact factorization F Agostini, EKU Gross The European Physical Journal B 94, 179, 2021 | 43 | 2021 |
| 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 | 43 | 2018 |
| Nuclear quantum effects in electronic (non)adiabatic dynamics F Agostini, I Tavernelli, G Ciccotti The European Physical Journal B 91, 139, 2018 | 42 | 2018 |
E.K.U. GrossThe Hebrew University of Jerusalem eberhard.gross'at'mail.huji.ac.ilPatvirtintas el. paštas mail.huji.ac.il
