Quantum calculations on the vibrational predissociation of NeBr2: Evidence for continuum resonances

摘要: Quantum mechanical calculations on the vibrational predissociation dynamics of NeBr2 in B electronic state have been performed and results compared with both experimental data other computational studies. For levels v⩽20 we find that dependence lifetimes is qualitative agreement measurements, as are calculated Br2 fragment rotational distributions. higher levels, B←X excitation profiles well represented by a sum two Lorentzian line shapes. We attribute this result to presence long-lived resonances dissociative continuum reminiscent trajectories previous classical studies NeBr2.