Hello.
I’d like to calculate nonadiabatic couplings between the singlet states.
However, the targeted states are obtained by different methods.
One is S1 state from TDDFT and the other is Sn state by CDFT which the spin constraints are applied.
I already optimized the geometries for each state and want to calculate nonadiabatic couplings between them.
In this situation, can I achieve my desire?