In Fig. , the potential energies of all runs (reference and MTS) are represented. For the MTS runs, we only plot the energy from the PBE0 steps, which explains why for the larger MTS factors, the curves appear less smooth. One can see that all the MTS trajectories, except with MTS factor 8, successfully describe the first transition from S 2 to S 1 in the first 10 fs. Between 30 and 40 fs, the reference trajectory enters a new non-adiabatic region as the first and second excited states become close in energy for the third time. Until that point, the MTS trajectories with MTS factor 2, 3, 4, and 6 seem to describe the reference trajectory relatively well. Afterwards, the MTS trajectories with factor 2, 3, and 4 start to diverge from the reference run. The MTS trajectory with factor 6 is overall the closest from the reference run. However, an MTS factor of 8 seems to be too large to reproduce most of the features of the reference run. This analysis is confirmed by looking at the root-meanssquare-deviation (RMSD) of the nuclear positions of the MTS trajectories with respect to the reference run in Fig. .