Quantum flux through a conical intersection

Nonadiabatic dynamics at a conical intersection is investigated by solving the time-dependent Schrödinger equation numerically. The nuclear coordinate space is spanned by two degrees of freedom, a ‘tuning’ and a ‘coupling’ coordinate. The analogy of a wavepacket with a quantum liquid is used to illustrate the nuclear motion in a strong vibronic coupling regime. An analysis of the time of evolution of the probability densities and velocity fields in the diabatic and adiabatic electronic picture reveals significant differences of the quantum flux between the two representations. The complexity of quantum currents in both electronic states increases rapidly with propagation time.