Semi-classical implementation of mapping Hamiltonian methods for general non-adiabatic problems Original Research Article

We present a general semi-classical implementation of the mapping Hamiltonian formulation of electronically non-adiabatic dynamics. The approach is based on a stationary phase approximation to the mapping Hamiltonian propagator. We demonstrate the accuracy of the approach in model applications to quite general coupled potentials representing the non-adiabatic problem.