Wave packet studies of molecular photofragmentation via strongly coupled electronic surfaces

✍ Scribed by A.E. Orel; K.C. Kulander

• Publisher: Elsevier Science
• Year: 1988
• Tongue: English
• Weight: 530 KB
• Volume: 146
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(88)87472-4

✦ Synopsis

The photodissociation process, Hz + hv-[ (H: )*] +2H t H+ or Hz t H was studied in a two-dimensional approximation. In this system, two Born-Oppenheimer surfaces intersect in the Franck-Condon region, and are coupled by non-adiabatic terms in the Hamiltonian. Therefore, both surfaces participate in the photodissociation process. A wave packet was propagated by numerical integration of the time-dependent Schrodinger equation, including coupling between the two surfaces, into the asymptotic region. The effects of variations of the coupling strength on the absorption profile and product state distribution were investigated.