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Quantum dynamics with curvilinear coordinates: models and kinetic energy operator
Emanuele Marsili
,
Federica Agostini
,
André Nauts
,
David Lauvergnat
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2022, 380 (2223), ⟨10.1098/rsta.2020.0388⟩
Journal articles
hal-03799423v1
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Dynamics of Electrons and Nuclei in Molecules: Beyond the Born-Oppenheimer Approximation
Federica Agostini
Conférence plénière du GDR UP, 2018, Paris, France
Conference papers
hal-04130669v1
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Electronic Structure and Excited States of the Collision Reaction O(3P) + C2H4 : A multiconfigurational Perspective
Francesco Talotta
,
Sabine Morisset
,
Nathalie Rougeau
,
David Lauvergnat
,
Federica Agostini
Journal articles
hal-03365881v1
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Relaxation dynamics through a conical intersection: Quantum and quantum–classical studies
Carlotta Pieroni
,
Emanuele Marsili
,
David Lauvergnat
,
Federica Agostini
Journal articles
hal-03365864v1
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Spin-Orbit Interactions in Ultrafast Molecular Processes
Francesco Talotta
,
Sabine Morisset
,
Nathalie Rougeau
,
D. Lauvergnat
,
Federica Agostini
Journal articles
hal-02994955v1
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Quantum and Quantum-Classical Studies of the Photoisomerization of a Retinal Chromophore Model
Emanuele Marsili
,
Massimo Olivucci
,
D. Lauvergnat
,
Federica Agostini
Journal articles
hal-02994954v1
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Influence of the environment on the infrared spectrum of alanine: an effective modes analysis
Jessica Bowles
,
Sascha Jähnigen
,
Rodolphe Vuilleumier
,
Florent Calvo
,
Carine Clavaguéra
,
et al.
Journal articles
hal-04055173v1
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Exact Factorization Adventures: A Promising Approach for Non-bound States
Evaristo Villaseco Arribas
,
Federica Agostini
,
Neepa T. Maitra
2022
Preprints, Working Papers, ...
hal-03677181v1
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On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation
Arne Scherrer
,
Federica Agostini
,
Daniel Sebastiani
,
E. k. u. Gross
,
Rodolphe Vuilleumier
Journal articles
hal-01585233v1
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Internal Conversion and Intersystem Crossing with the Exact Factorization
Francesco Talotta
,
Sabine Morisset
,
Nathalie Rougeau
,
D. Lauvergnat
,
Federica Agostini
Journal articles
hal-02994957v1
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