and as such, an almost complete population of CT 0 . While out limited model appears to run into a different equilibrium with complete CT 1 occupation as in Fig. , this is misleading, as even in the model a conversion to CT 0 will happen on a much longer timescale. Note, however, that adding additional conversion pathways to the model is expected to reduce the time in which the system reaches thermal equilibrium, but doing so is beyond the scope of this work which focuses on the analysis of different diabatization methods with respect to the calculation of LE-CT couplings.