There are many other areas of PESs that are equally important. One of the most important structures is certainly the conical intersections (CIs). They are molecular geometries at which two (or more) adiabatic electronic states of the molecule become degenerate, which is critically affected by the choice of XC functionals. As the intersecting electronic states at a CI are coupled by the nonvanishing nonadiabatic coupling, CIs provide efficient funnels for the state-to-state population transfer mediated by the nuclear motion. In addition to the CIs, the minima of excited states are also important in determining the decay lifetimes. As discussed in the introduction, the two conical intersections and excited state minima between the first and second excited states of trans-butadiene 12 and thymine 39 were adopted. Short NAMD simulations on thymine were also performed to study the effect of new XC functionals on the decay lifetimes.