Connection between the direct and mapping forms of a factorized classical propagator

摘要

The use of accurate integrators with long-time stability is of crucial importance in modern molecular dynamics simulations.A powerful method for obtaining such an integrator is an approximate factorization of the classical Liouville propagator.This method was originally used in designing a symplectic integrator for Hamiltonian systems,but recently it has also been actively used for non-Hamiltonian systems.