Quantum/classical hybrid dynamics of I2(A) photodissociation and recombination in matrix Ar, linear chain model

✍ Scribed by Li Liu; Hua Guo

• Publisher: Elsevier Science
• Year: 1995
• Tongue: English
• Weight: 682 KB
• Volume: 237
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(95)00318-x

✦ Synopsis

A quantum/classical hybrid model is developed for the photodissociation and recombination dynamics of an 12 molecule in low temperature matrix Ar. This simplified model consists of an 12 molecule embedded in a linear chain of Ar atoms. The dynamics of 12 on its A state is treated quantum mechanically while the Ar matrix is described classically. The quantum system is self-consistently coupled with the classical bath. Our calculations show substantial energy transfer and retention of coherence in the early stages of the recombination process. The time-delayed pump-probe transients are calculated and compared with experiment and other theoretical simulations.