Theabinitiocalculation of the vibrationalhyphen;rotational spectrum of triatomic systems in the closehyphen;coupling approach, with KCN and H2Ne as examples

摘要

A Hamiltonian for the vibrationhyphen;rotation motions of atomndash;diatom systems is derived in bodyhyphen;fixed coordinates and a method for its solution as a closehyphen;coupled secular problem is formulated. The radial coordinate is expanded in Morse oscillator functions. Calculations on KCN and H2Ne are presented. For KCN the neglect of Coriolis interactions is found to have little effect. Extensions of the method to problems in more dimensions are suggested.