Classical path method in inelastic and reactive scattering

Abstract

Abstract The semiclassical (classical path) method has over the years probably been the most commonly used approximate method for describing many molecular dynamical processes in inelastic, non-adiabatic and recently also in reactive scattering. Here an overview of the development of the theory is given. Its connection to various other approximate dynamic theories such as the eikonal, time-dependent self-consistent field, Gaussian wave packet and the Feynmann path theory is discussed. Various numerical and technical schemes for solving the mixed quantum-classical equations through algebraic, state and grid expansion methods are also given.