THE REACTION VOLUME HAMILTONIAN MODEL - FURTHER DEVELOPMENT AND APPLICATION

The reaction volume Hamiltonian model is extended and applied to the O H+H-2, reaction. A minimum energy path, which is a function of the hyp erspherical coordinates rho, Theta and Phi, characterizing the reactiv e centers, has been calculated for the H spectator atom bound to the o xygen atom. Vibrational coupling coefficients, which occur in the Hami ltonian for this reactive system,have been computed. (C) 1997 American Institute of Physics.