8 papers
Roadmap on Attosecond Science
Rocio Borrego Varillas, Pierre Agostini, Fernando Ardana-Lamas +108
Twenty-five years have passed since the first experimental demonstration of attosecond pulses, marking the advent of our ability to resolve and control electron motion in real time…
Excited-State Intramolecular Proton Transfer and Competing Pathways in 3-Hydroxychromone: A Non-adiabatic Dynamics Study
Alessandro Nicola Nardi, Morgane Vacher
Excited-state intramolecular proton transfer (ESIPT) is a fundamental photochemical process in which photoexcitation induces proton transfer within a molecule, leading to the forma…
Femtosecond Nonadiabatic Confinement of Molecular Dication Yield
Carlos Marante, Lina Fransén, Alexie Boyer +5
Doubly charged molecular cations often carry signatures of electronic correlation and electron-nuclear entanglement present in the parent cation. Here, we produce ethylene dication…
Attochemical control of nuclear motion despite fast electronic decoherence
Lina Fransén, Sandra Gomez, Morgane Vacher
Short-in-time, broad-in-energy attosecond or few-femtosecond pulses can excite coherent superpositions of several electronic states in molecules. This results in ultrafast charge o…
Automated selection of nuclear coordinates for reduced dimensionality nonadiabatic dynamics
Vincent Delmas, Alessandro Nardi Nardi, Isabella C. D. Merritt +3
Poor scaling of dynamics simulations with number of dimensions is currently a major limiting factor in the simulation of photochemical processes. In this work, we investigate ways…
Ultrafast probing of isotope-induced explciit symmetry breaking in ethylene
Alessandro Nicola Nardi, Alexie Boyer, Yaowei Hu +4
Symmetry governs nature's law, yet many of the natural phenomena occur due to the breakdown of symmetry. Here, we show how isotope-induced inversion symmetry breaking influences ul…