ELECTRONIC STATES AND DYNAMIC BEHAVIOR OF LIXEN AND CSXEN CLUSTERS

A variety of theoretical techniques have been used to explore the electronic states, approximate interaction potentials and dynamical behavior of LiXe(n) and CsXe(n) clusters at finite temperature. Although alkali atoms prefer to reside on the outer perimeter of the cluster, nevertheless, the electronic states (s-p transition) suffer a perturbation which should be seen in appropriate experiments. The pair approximation for the guest host interaction is shown to yield an excellent description of the structural and dynamical properties of the system. Comparisons are made with recent related studies on the lowest energy geometries of NaAr(n) clusters and the behavior of Li and Na in bulk xenon.