Structure, Rotational Dynamics, and Superfluidity of Small OCS-Doped He Clusters

Saverio Moroni, Antonio Sarsa, Stefano Fantoni, Kevin E. Schmidt, Stefano Baroni

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The structural and dynamical properties of carbonyl sulfide (OCS) molecules solvated in helium clusters are studied using reptation quantum Monte Carlo, for cluster sizes [Formula presented] 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.

Original languageEnglish (US)
Number of pages1
JournalPhysical Review Letters
Issue number14
StatePublished - Jan 1 2003


ASJC Scopus subject areas

  • Physics and Astronomy(all)

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