Abstract

We report new ab initio calculations of the three-dimensional potential energy surfaces for the Renner-effect coupled ground electronic state and first excited electronic state of the CH molecule. We also make an ab initio calculation of the spin–orbit coupling surface between these states. Using these ab initio surfaces in our computer program RENNER, we calculate term values and absorption line intensities, and compare with recently observed high resolution spectra. Adjusting two parameters in the potential surfaces we are able to achieve satisfactory agreement with the experimental results except for those that involve the state (, l = 1) vibronic level. The implication of this disagreement is 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 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.