Abstract
In this work, we explore the applicability of a multiconfiguration version of the time-dependent Hartree approximation in photodissociation dynamics. A two-dimensional model system based on the A-band photodissociation of ICN is used. The propagation of the wave packet, which is expanded on grids, is carried out using pseudospectral methods and a predictor–corrector integrator. It is found that the quantum state resolved quantities, such as the final CN rotational distribution, require many more configurations than averaged quantities like the absorption spectrum. The calculated results from this work agree well with previous quantum calculations.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Disclaimer: 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.