MODEL FOR DESCRIBING LARGE-AMPLITUDE VIBRATIONS OF TRIATOMIC-MOLECULES

A coordinate system developed by Smith and Whitten for describing scattering states of three body systems is applied to the problem of large amplitude The SW equations are simplified and a form of potential found which permits a separation of the SW Schrödinger equation. The model is applied to the description of large amplitude vibrations in the water molecule and it is shown that the assumed form of potential satisfac A model for arbitrary amplitude vibrations of H2O is obtained in terms of three separate one-dimensional equations. © 1979.