Abstract

Making reliable semi-classical calculations using the Modified Complex Robert and Bonamy formalism require an intermolecular potential expanded to a high order. Reduced matrix elements (RMEs) need to be computed for each component of the intermolecular potential using the wavefunctions of the states involved in the transition. Calculations for a number of transitions of 13 vibrational bands were performed using the vibrational dependent RMEs and using the ground state RMEs for both upper and lower states. The calculations show that for transitions that obey the sum rules the spectroscopic effect is small.

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 call

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.