FITTING THE ROVIBRATIONAL SPECTRA WITH AN EFFECTIVE ROTATIONAL LARGE-AMPLITUDE MOTION HAMILTONIAN

A general method of solution for the rovibrational problem for a singl e large amplitude motion coupled to the overall rotation is presented. The numerical construction of the effective rovibrational Hamiltonian is applicable to any semirigid or flexible model for a large amplitud e motion. High-order centrifugal distortion and Coriolis interaction t erms generated by the small amplitude vibrations of normal modes are e ffectively included into the Hamiltonian. The method is illustrated by performing a global fit of the rotational transitions observed in the ground and excited states of some typical large amplitude modes. (C) 1996 Academic Press, Inc.