Time-Independent Nonadiabatic Molecular Dynamics

The Born–Oppenheimer (BO) approximation made an outstanding step toward solving the Schrödinger equation for complicated molecular systems, in which electronic motion is solved first under fixed nuclear configuration. Approximation methods such as semiclassical methods, mixed quantum-classical methods, and mean-field classical methods are then employed for solving the coupled electronic Schrödinger equations for nonadiabatic molecular dynamics.