Table provides a comparative analysis of the TDDFT and CASSCF methodologies, based on the state hopping data collected from the respective simulations. The comparison reveals a significant disparity in the ISC dynamics of 2-TP and 4-TP. While both approaches indicate that ISC predominantly proceeds along the S 1 /T 2 transition channel and that the T 1 state is primarily populated from the T 2 state, the CASSCF-based dynamics also reveals an independent S 1 /T 1 transition pathway, which directly populates the T 1 state. This pathway is rare, if not entirely absent, in the TDDFT approach across all models of the three isomers.