most citedPhotofragmentation of cyclobutanone at 200 nm: TD-DFT vs CASSCF electron diffraction

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physics.chem-ph2025

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…

physics.chem-ph2024★ 2 cited

Photofragmentation of cyclobutanone at 200 nm: TD-DFT vs CASSCF electron diffraction

Alberto Martín Santa Daría, Javier Hernández-Rodríguez, Lea M. Ibele +1

To simulate a 200 nm photoexcitation in cyclobutanone to the n-3s Rydberg state, classical trajectories were excited from a Wigner distribution to the singlet state manifold based…