Abstract
The multiconfiguration time-dependent Hartree (MCTDH) approach has been employed to study the reaction dynamics of the He+HeH+ reaction on the Panda–Sathyamurthy potential energy surface. The calculations have been performed for the reactants both in their ground and ro-vibrational excited states. Both centrifugal sudden (CS) and coupled channel (CC) studies have been performed for the He+HeH+ reaction. The results have been compared with an earlier study performed using the split operator method, under CS approximation. The CC results show a distinct difference from the CS results. The observed differences for this system have been analyzed and explained in this study. The importance of the initial orientation of the reagents and the presence of preferred pathways of approach in the reaction dynamics of this system has been discussed.
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.
