Energetics of small Bc…X n van der Waals clusters. Application to I 2…Ne n ( n = 1–3)

Abstract

The energetics of I 2…Ne n van der Waals (vdW) clusters were studied using an approximate quantal treatment. The Ne atoms were restricted to move on a plane perpendicular to the I 2 axis by fixing the bending coordinates at their equilibrium configuration (the T-shaped one). Also, the vdW stretching coordinates were fixed at their equilibrium values at the moment of finding the function describing the bending motion of the clusters. The influence of these approximations on the energy levels calculated is analysed and discussed.