Comparative studies of surface hopping method for molecules in few-cycle intense laser pulses

We present theoretical investigation of different versions of the semiclassical surface-hopping method for the simulation coupled electron-nuclear dynamics in the present of ultrafast intense laser pulses. We analyze the detailed comparisons of the method together with the exact numerical solutions of the coupled-channel time-dependent Schrodinger equation (TDSE) for a few different benchmarked systems for molecular dissociation as well as a realistic system of intense infrared pump -- intense infrared probe in O₂. Our results indicate that with proper choices of the hopping criterion, the surface hopping method is capable of reproducing results comparable with the exact TDSE for molecules in few-cycle intense infrared or mid-infrared laser pulses.