On the analytic solution by computer algebra of some problems in the vibration-rotational spectroscopy of diatomic molecules

An approach to the analytic solution by computer algebra of the treatment of the frequency and intensity data in the vibration-rotational spectra of diatomic molecules is outlined. The Dunham theory has been greatly extended with the generation of analytic expressions for the term-value coefficients Ykl, expectation values and matrix elements, and the Herman-Wallis coefficients Cvv and Dvv in terms of the potential-energy aj and dipole-moment Mj coefficients. Salient points about the computational techniques are noted