CT-MQC and CT-TSH dynamics are performed in the adiabatic basis, with adiabatic PESs determined by diagonalizing the electronic Hamiltonian in Eq. . The nonadiabatic couplings are computed analytically with the usual Hellmann-Feynman theorem from the eigenvectors of the electronic Hamiltonian in Eq. ( ). This procedure is implemented in the ModelLib library . The velocity-Verlet algorithm is used to integrate classical nuclear equations, and the fourth-order Runge-Kutta method is used for the electronic evolution; nuclear and electronic dynamics are integrated with at time step of 0.0024 fs (0.1 au). We checked the stability of CT-TSH results by reducing/increasing by half the