Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping

Ultrafast Photoinduced Dynamics of 1,3-Cyclohexadiene Using XMS-CASPT2 Surface Hopping

Iakov Polyak, Lewis Hutton, Rachel Crespo-Otero, Mario Barbatt, Peter J. Knowles,
Journal of Chemical Theory and Computation, 15 3929-3940 (2019)