Nonlinear dynamics of vibration–rotation interactions: Rigid bender H2O

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Abstract
A classical nonlinear dynamics analysis of intramolecular vibration–rotation interaction is presented. The system studied is a water molecule which is allowed to rotate in three dimensions and bend, but angular momentum conservation is used to reduce the problem to two degrees of freedom. A classical perturbation theory treatment is developed which accurately treats first order corrections to the dynamical frequencies and which provides a qualitative picture of the role of nonlinear resonances in the onset of vibration–rotation chaos. Additionally, a classical trajectory study of the high j, high E regime provides information about the onset of chaos. The relationship of this work to an earlier trajectory study and a comparison of the results to those found for coupled oscillator systems are discussed.