A Monte Carlo model for simulating the behaviour of a quantum harmonic oscillator embedded in a classical cluster, liquid or solid

A simple Monte Carlo model is presented for simulating the motion of a quantum harmonic oscillator trapped in a rare gas cluster or matrix which is treated as a classical heat bath. Preliminary results are present for the system I2·Ar11 where it would appear that the bond length of the molecule is sensitive to the temperature of the cluster. It is anticipated that the model may be used to study how vibrating molecules are accommodated by rare gas clusters and solids.