TY  - JOUR 
AU  - Martín Santa Daría, Alberto
AU  - Hernández Rodríguez, Javier
AU  - Ibele, Lea M.
AU  - Gómez, Sandra
PY  - 2024
SN  - 0021-9606
UR  - http://hdl.handle.net/10366/170044
AB  - [EN]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 on excitation energies and oscillator strenghts. Twelve singlet and...
LA  - eng
PB  - AIP Publishing
KW  - Photofragmentation
KW  - Cyclobutanone
KW  - Gas-phase ultrafast electron diffraction (GUED)
KW  - Non-adiabatic dynamics
KW  - Tully surface hopping
TI  - Photofragmentation of cyclobutanone at 200 nm: TDDFT vs CASSCF electron diffraction
DO  - 10.1063/5.0197895
T2  - The Journal of Chemical Physics
VL  - 160
ER  -