[HTML][HTML] The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics
Owing to ring strain, cyclic ketones exhibit complex excited state dynamics with multiple
competing photochemical channels active on the ultrafast timescale. While the excited state …
competing photochemical channels active on the ultrafast timescale. While the excited state …
Prediction challenge: Simulating Rydberg photoexcited cyclobutanone with surface hop** dynamics based on different electronic structure methods
This research examines the nonadiabatic dynamics of cyclobutanone after excitation into the
n→ 3s Rydberg S 2 state. It stems from our contribution to the Special Topic of the Journal of …
n→ 3s Rydberg S 2 state. It stems from our contribution to the Special Topic of the Journal of …
Frozen Gaussian Wavepacket to Perform and Correct Nonadiabatic Mixed Quantum-Classical Dynamics
RS Mattos - 2024 - amu.hal.science
Nonadiabatic dynamics methods play a crucial role in investigating the reaction of molecular
systems to being excited by photons and submitted to a new electronic potential energy …
systems to being excited by photons and submitted to a new electronic potential energy …