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List of works by Federica Agostini

Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

scientific article published on 16 June 2017

An exact factorization perspective on quantum interferences in nonadiabatic dynamics ⬇️

scientific article published in July 2016

Classical nuclear motion coupled to electronic non-adiabatic transitions ⬇️

scientific article published in December 2014

Coupled-Trajectory Mixed Quantum-Classical Algorithm: A Deconstruction

scientific article published on 22 August 2018

Coupled-Trajectory Quantum-Classical Approach to Electronic Decoherence in Nonadiabatic Processes. ⬇️

scientific article published on 10 August 2015

Dynamical Steps that Bridge Piecewise Adiabatic Shapes in the Exact Time-Dependent Potential Energy Surface

scientific article published in Physical Review Letters

Electronic Flux Density beyond the Born–Oppenheimer Approximation

article

Exact Factorization Adventures: A Promising Approach for Non-Bound States

scientific article published in 2022

Infrared spectroscopy and effective modes analysis of the protonated water dimer H+(H2O)2 at room temperature under H/D substitution

scientific article published on 28 February 2011

Infrared spectroscopy of small protonated water clusters at room temperature: An effective modes analysis

scientific article published on 28 February 2011

Maximum probability domains for the analysis of the microscopic structure of liquids ⬇️

scientific article published on 14 February 2015

Mixed quantum-classical dynamics from the exact decomposition of electron-nuclear motion ⬇️

article

Mixed quantum-classical dynamics on the exact time-dependent potential energy surface: a fresh look at non-adiabatic processes

article

Nonadiabatic Dynamics with Coupled Trajectories

scientific article published on 10 September 2021

Nuclear velocity perturbation theory for vibrational circular dichroism: An approach based on the exact factorization of the electron-nuclear wave function ⬇️

scientific article published in August 2015

On the Dynamics through a Conical Intersection.

scientific article published on 2 February 2017

Quantum-Classical Nonadiabatic Dynamics: Coupled- vs Independent-Trajectory Methods

scientific article published on 30 March 2016

Semiclassical analysis of the electron-nuclear coupling in electronic non-adiabatic processes

article

The adiabatic limit of the exact factorization of the electron-nuclear wave function. ⬇️

scientific article published in August 2016

The exact forces on classical nuclei in non-adiabatic charge transfer ⬇️

article

Ultrafast dynamics with the exact factorization

scientific article published in 2021

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