title: Nuclear dynamics of decaying states: A semiclassical approach.
abstract: A semiclassical method is proposed for carrying out molecular fragmentation simulations following electronic decay processes. The nuclear motion is treated classically during and after the electronic decay while a quantum mechanical description is used for the electron dynamics. The method is compared with full quantum results for benchmark examples. Good agreement is achieved. Such a method should be very useful for studying large systems for which a quantum description is not feasible.
authors: Université Pierre et Marie Curie, UMR 7614, Laboratoire de Chimie Physique Matière et Rayonnement, 11 rue Pierre et Marie Curie, F-75005 Paris, France.
authors: N
authors: N
authors: Sisourat