Use of the Classical Trajectory Method in Modelling the Dynamics of Atom–Molecule Collisions in Chemical Reactions

This review discusses methods of modelling atom–molecule collisions in chemical reactions by calculating the classical trajectories, and the application of these methods in studies of the dynamics and kinetics of bimolecular and unimolecular reactions. The discussion includes methods of defining and analysing the potential energy surface, methods of calculating the trajectories in multidimensional phase space, and statistical methods of controlling numerical experiments (selection of initial parameters, calculation of the distribution function of the active molecule with respect to life-time, etc.).
154 references.