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

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

doi:10.1103/PhysRevLett.90.143401

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

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

Research output: Contribution to journal › Article › peer-review

8 Scopus citations

Abstract

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 language	English (US)
Pages (from-to)	4
Number of pages	1
Journal	Physical Review Letters
Volume	90
Issue number	14
DOIs	https://doi.org/10.1103/PhysRevLett.90.143401
State	Published - 2003
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy

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

abstract = "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.",

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T1 - Structure, Rotational Dynamics, and Superfluidity of Small OCS-Doped He Clusters

AU - Moroni, Saverio

AU - Sarsa, Antonio

AU - Fantoni, Stefano

AU - Schmidt, Kevin E.

AU - Baroni, Stefano

PY - 2003

Y1 - 2003

N2 - 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.

AB - 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.

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U2 - 10.1103/PhysRevLett.90.143401

DO - 10.1103/PhysRevLett.90.143401

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JO - Physical Review Letters

JF - Physical Review Letters

IS - 14

ER -

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

Abstract

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