Fig. 7

Direct and indirect CT trajectories. Trajectories are shown in terms of the N\({}_{2}\)–Rb distance \(R\) as a function of simulation time \(t\). Panel a represents a direct trajectory while panels b and c show two indirect trajectories with multiple collisions. The trajectory in panel b is further analysed in panel d which shows the change in potential energy with respect to \(t\). The potential energies \({V}_{1}\) and \({V}_{2}\) of the coupled electronic states are shown as faint blue and red lines, respectively. The black line is the energy path of the trajectory. Three hopping regions for the first collision (labelled \({A}_{1}\)–\({A}_{3}\)) can be seen in the inset. Multiple switchings between the surfaces are observed in the hopping regions.