Selected recent publications
A CASSCF/MRCI trajectory surface hopping simulation of the photochemical dynamics and the gas phase ultrafast electron diffraction patterns of cyclobutanone
X. Miao, K. Diemer, and R. Mitric
J. Chem. Phys., 160 , pp. 124309-1 – 124309-11, (2024)
https://doi.org/10.1063/5.0197768
FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime
R. Einsele, L. N. Philipp, and R. Mitric
J. Chem. Phys., 161 (15), 154106, (2024)
https://doi.org/10.1063/5.0231191
Prediction of fluorescence quantum yields using the extended thawed Gaussian approximation
J. Chem. Phys. 159, 234113 (2023)
https://doi.org/10.1063/5.0178106
HORTENSIA, a program package for the simulation of nonadiabatic auto ionization dynamics in molecules
K. Issler, R. Mitric and J. Petersen
J. Chem. Phys. 159, 134801 (2023)
https://dx.doi.org/10.1063/5.0167412
