Floquet-Engineered Photodissociation Simulated Using Coupled Potential Energy and Dipole Matrices.
Chris AvanessianYuchen WangDavid R YarkonyPublished in: The journal of physical chemistry letters (2024)
We simulate the nonadiabatic molecular dynamics of ammonia photodissociation in the presence of an external laser field by using an approximate Floquet Hamiltonian. The dipole-field interaction gives rise to seams of light-induced conical intersection (LICI), which can significantly change the topography of the coupled potential energy surfaces. We perform quasiclassical trajectories based on recently reported diabatic potential energy matrices (DPEM) and dipole matrices. It is shown that the branching ratio of ground and excited state NH 2 is drastically altered by laser-dipole interaction, which is a signature of nonadiabatic effects induced by light.