Regardless of using wave packet or ab initio molecular dynamics, the motion of the nuclei is governed by the topology of the potential energy surface (PES). Accordingly, dynamics will be only meaningful, if the underlying electronic states are accurately described. Transition metal complexes with their high density of low-lying excited states of different characters pose intricate challenges to electronic structure methods. Due to its moderate computational costs, efficiency, and "black-box" character, density functional theory (DFT) and its linear-response timedependent extension (TDDFT) are enjoying great popularity. For dynamics simulations, where a large number of single-point calculations is required, using formally higherranked theoretical methods is barely an alternative. However, DFT suffers from various errors that stem from relying on approximate exchange-correlation functionals.