Structure, rotational dynamics, and superfluidity of small OCS-doped He clusters
Saverio Moroni, Antonio Sarsa, Stefano Fantoni, Kevin E. Schmidt, Stefano Baroni
Abstract
The structural and dynamical properties of OCS molecules solvated in Helium clusters are studied using reptation quantum Monte Carlo, for cluster sizes n=3-20 He atoms. Computer simulations allow us to establish a relation between the rotational spectrum of the solvated molecule and the structure of the He solvent, and of both with the onset of superfluidity. Our results agree with a recent spectroscopic study of this system, and provide a more complex and detailed microscopic picture of this system than inferred from experiments.
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