Figure 11.

Computational cost in CPUh per propagated picosecond (of a single trajectory) for SH simulations as a function of the nuclear degrees of freedom using LVC and different on-the-fly electronic structure methods. The double logarithmic scale should be noted. The areas of the circles are proportional to the numbers of electronic states included. MM indicates that the solvent was described by molecular mechanics. The computational costs are only qualitative, as they were obtained from different electronic structure codes and computer architectures. The simulations were performed between 2013 and 2021.