An adiabatic state approach to electronically nonadiabatic wave packet dynamics

In the present study we introduce a time-dependent wave packet method to treat electronically non-adiabatic processes explicitly in the coupled adiabatic state representation. The method is applied to the predissociation of the MgCl (A2II) state and is shown to be easy to implement, with the computational effort being comparable to the corresponding calculation in the diabatic basis. © 1992 John Wiley & Sons, Inc.