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Chemistry

Working Paper

On the connection between the Exact Factorization and the Born-Huang representation of the molecular wavefunction

Peter Schürger, Yorick Lassmann, Federica Agostini, Basile Curchod

Version 2 posted 23 December 2024

124

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Chemistry

Working Paper

Investigating the photodynamics of trans-azobenzene with coupled trajectories

Carlotta Pieroni, Eduarda Sangiogo Gil, Lea-Maria Ibele, Maurizio Persico, Giovanni Granucci, Federica Agostini

Version 1 posted 11 September 2023

189

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Chemistry

Working Paper

Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states.

Evaristo Villaseco Arribas, Neepa Maitra, Federica Agostini

Version 1 posted 31 October 2023

325

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Chemistry

Working Paper

Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics

Eduarda Sangiogo Gil, David Lauvergnat, Federica Agostini

Version 2 posted 21 June 2024

329

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Chemistry

Working Paper

Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases

Jessica Bowles, Sascha Jähnigen, Federica Agostini, Rodolphe Vuilleumier, Anne Zehnacker, Florent Calvo, Carine Clavaguera

Version 2 posted 21 December 2023

301

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Chemistry

Review

Simulations of photoinduced processes with the exact factorization: State of the art and perspectives

Lea Maria Ibele, Eduarda Sangiogo Gil, Evaristo Villaseco Arribas, Federica Agostini

Version 1 posted 24 June 2024

178

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Chemistry

Working Paper

Electronic vector potential from the exact factorization of a complex wavefunction

Sara Giarrusso, Paola Gori-Giorgi, Federica Agostini

Version 1 posted 06 February 2024

312

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Chemistry

Working Paper

Influence of the environment on the infrared spectrum of alanine: an effective modes analysis

Jessica Bowles, Sascha Jähnigen, Rodolphe Vuilleumier, Florent Calvo, Carine Clavaguéra, Federica Agostini

Version 2 posted 06 February 2024

258

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Chemistry

Working Paper

Quantum molecular dynamics simulations of the effect of secondary modes on the photoisomerization of a retinal chromophore model

Ari Pereira, Joachim Knapik, Ahai Chen, David Lauvergnat, Federica Agostini

Version 2 posted 06 February 2024

294

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Chemistry

Working Paper

Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories

Lucien Dupuy, Francesco Talotta, Federica Agostini, David Lauvergnat, Bill Poirier, Yohann Scribano

Version 2 posted 06 February 2024

346

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Refine Search

15 results in Federica Agostini in Authors: Federica Agostini

On the connection between the Exact Factorization and the Born-Huang representation of the molecular wavefunction

Investigating the photodynamics of trans-azobenzene with coupled trajectories

Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states.

Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics

Vibrational circular dichroism spectroscopy with a classical polarizable force field: alanine in the gas and condensed phases

Simulations of photoinduced processes with the exact factorization: State of the art and perspectives

Electronic vector potential from the exact factorization of a complex wavefunction

Influence of the environment on the infrared spectrum of alanine: an effective modes analysis

Quantum molecular dynamics simulations of the effect of secondary modes on the photoisomerization of a retinal chromophore model

Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories

15 results in Authors: Federica Agostini