Abstract

We present a formal development of the tensorial rotational Hamiltonian using symbolic calculations. Algebraic manipulations thanks to the open-source Maxima software allow us to get formal expressions of use for various molecular spectroscopy problems. We first present some simple applications to the so-called semi-classical approach that allows the study of level structures in the molecular rotational energy spectrum. Then, we perform some comparisons between the tensorial approach and Watson’s Hamiltonian, giving exact effective molecular parameter correspondence formula between the two formalisms.

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.