Abstract
Metastable energy levels and rates for vibrational predissociation of NeCl 2 (B, v 1 = 11) complex are investigated. The potential energy surface is represented by the sum of atom-atom pairwise interactions. Due to the large vibrational spacing of Cl 2 (B), a diabatic distorted-wave approximation is used to describe diatomic vibrations. Discrete energy levels are then calculated by separating adiabatically the fast stretching motion in the weak bond from the slow rotational motions within the complex. Continuum states are described in the “infinite order sudden” (I.O.S.) approximation, and rates for vibrational predissociation are evaluated using the corresponding discrete-continuum potential couplings in the frame of the Fermi's golden rule.
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