3 papers
physics.chem-ph2025
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle +42
Simulating the coupled electronic and nuclear response of a molecule to light excitation requires the application of nonadiabatic molecular dynamics. However, when faced with a spe…
physics.chem-ph2025
Unraveling the relaxation dynamics of Uracil: insights from time-resolved X-ray photoelectron spectroscopy
Davide FaccialÃ, Matteo Bonanomi, Bruno Nunes Cabral Tenorio +26
We report a study of the electronic and nuclear relaxation dynamics of the photoexcited RNA base uracil in the gas phase, using time-resolved core level photoelectron spectroscopy…
physics.chem-ph2024
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
Yi-Ping Chang, Tadas Balciunas, Zhong Yin +8
A dynamical rearrangement in the electronic structure of a molecule can be driven by different phenomena, including nuclear motion, electronic coherence or electron correlation. Re…