Structure, rotational dynamics, and superfluidity of small OCS-doped He clusters.
The structural and dynamical properties of carbonyl sulfide (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.
SMC INFM-Istituto Nazionale per la Fisica della Materia and Dipartimento di Fisica, Università di Roma La Sapienza, Piazzale Aldo Moro 2, I-00185 Rome, Italy.
Saverio
S
Moroni
Antonio
A
Sarsa
Stefano
S
Fantoni
Kevin E
KE
Schmidt
Stefano
S
Baroni