The aim of this text is to present a surface hopping approximation for molecular quantum dynamics obeying a Schrödinger equation
with crossing eigenvalue surfaces. After motivating Schrödinger equations with matrix valued potentials, we describe the single
switch algorithm and present some numerical results. Then we discuss the algorithm’s mathematical justification and describe
extensions to more general situations, where three eigenvalue surfaces intersect or the eigenvalues are of multiplicity two.
We emphasize the generality of this surface hopping approximation for non-adiabatic transitions.
Keywords Molecular dynamics – Conical intersections – Surface hopping