Abstract
A computer program which uses matrix diagonalization techniques has been developed for determining the energy levels and wave-functions for periodic potential functions of the form V = 1 2 ∑ V n(1-cos nφ), where terms with n ranging from 1 to 6 can be used. The mass related internal rotation constant B is also allowed to vary as a function of the phase φ. The energy level patterns of eight different types of potential functions, which are typical for internal rotation and pseudorotation, have been determined. Several applications of such calculations for the interpretation of vibrational data are 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.
