Young Researchers Workshop: Stochastic and deterministic methods in kinetic theory

The surface hopping Gaussian beam method and the application in mixed quantum-classical dynamics

Zhenning Cai

National University of Singapore


The surface hopping method is widely used in chemistry for mixed quantum-classical dynamics. In this talk, we will discuss the understanding of the surface hopping method based on a class of hyperbolic equations with stiff source terms. An algorithm combining the Gaussian beam method and the surface hopping method is proposed for such systems, and the algorithm can be applied to the quantum-classical Liouville equations to solve high-dimensional problems.