Intersystem Crossing-Driven Photochemical Processes

The global switching (GS) on-the-fly trajectory surface hopping (TSH) molecular dynamic simulation is applied for both conical-intersection-driven and intersystem-driven photochemical and photophysical processes which are including triplets and spin-orbital couplings between singlet and triplet electronic excited states. The GS-TSH  nonadiabatic molecular dynamics simulation is demonstrated for dealing with mulitple mixed singlet and triplet excited states like chemiluminescent decomposition reaction of 1,2-dioxetanes.