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.
@article{arxiv.cond-mat/0212266,
title = {Structure, rotational dynamics, and superfluidity of small OCS-doped He clusters},
author = {Saverio Moroni and Antonio Sarsa and Stefano Fantoni and Kevin E. Schmidt and Stefano Baroni},
journal= {arXiv preprint arXiv:cond-mat/0212266},
year = {2009}
}