Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics Original Research Article

We show that the split-operator propagator of Feit and Fleck can be converted into a form that is easy to parallelize for a quantum system with Coriolis-coupled quantum dynamics. The angular kinetic energy part of the propagator is replaced by the Crank–Nicholson approximation, which makes the entire propagator tridiagonal in the quantum number Ω (the projection of the total angular momentum quantum number J onto the intermolecular axis). We demonstrate that the modified propagator is numerically stable and accurate, provided that the Crank–Nicholson approximation is applied to the entire angular kinetic energy operator.