Small para-hydrogen clusters doped with carbon monoxide:Quantum Monte Carlo simulations and observed infrared spectra

摘要

Progress in high resolution infrared and microwave spectroscopy of large(N approx= 10 He atoms)and small(N=2-20)doped helium clusters has been complemented by increasingly accurate theoretical simulations of the same systems.However,there are fewer results available for the analogous case of doped hydrogen clusters.Infrared spectra of small(hydrogen)_N-OCS clusters were reported recently by Tang and McKellar,for paraH_2,ortho H_2,and HD.The observations for paraH_2 clusters were in rather good agreement with calculations by Paesani,Zillich,and Whaley.