Abstract
The photodissociation and subsequent recombination of I2(A) in low temperature Ar or Kr matrices are investigated theoretically in a one-dimensional model. The dynamics of the I2 molecule, which is embedded in a linear chain of rare gas atoms, is explicitly treated with time-dependent quantum mechanics, while the motion of the bath atoms is described by classical trajectories. The quantum subsystem is self-consistently coupled with the classical bath via time-dependent mean fields. Our calculations show substantial energy transfer from the dissociating iodine to the solvent, and subsequent energy propagation in the solvent. The results indicate that coherence in the recombined I2 wave packet is not completely destroyed, in agreement with experiment and previous simulations. The temperature and wavelength dependence of the dynamics are also investigated.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
