The exact same trajectory (velocities and coordinates) have then been repeated by calculating the transitions probabilities using the LZ method (see section II A 2) together with the PBE functional (low level). For comparison, an additional run was performed at the PBE level and calculating transition probabilities using the FS method. No MTS algorithm was used in this section and the only difference between the three trajectories is the model used to calculate the transition probabilities (velocities and coordinates are the same for all three trajectories). Such conditions allows to compare the transition probabilities obtained with three different levels: PBE0-FS, PBE-LZ, and PBE-FS.