Adiabatic approximation bending energies

The ground-state adiabatic potential curves in Fig. 27.3 are constructed by adding accurate anharmonic zero-point energies for the stretch and bend modes to V]y[gp. On the reactant side the shapes of Vmep and are very similar with the adiabatic potential being shifted up by approximately the zero-point energy for the FI2 stretch vibrations, 6.2 kcal mokk Near the saddle point this contribution decreases markedly for the FI -1- H2 reaction, to 2.9 kcal mokh causing the adia-... 

The agreement noted between the ground and excited bend-state reduced dimensionality resonances and the CS ones of Schatz is quite significant. It indicates that the adiabatic bend approximation for this reaction continues to be a realistic description of the dynamics even for total energies up to 1.20 eV. This should stimulate further inquiry about the realism of the adiabatic bend approximation in reactive scattering. 

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