A diffusion Monte Carlo study of small para-hydrogen clusters

• Authors: Rafael Guardiola , Jesús Navarro
• Languages of publication: EN

Abstracts

EN

An improved Monte Carlo diffusion model is used to calculate the ground state energies and chemical potentials of parahydrogen clusters of three to forty molecules, using two different p-H2-p-H2 interactions. The improvement is due to three-body correlations in the importance sampling, to the time step adjustment and to a better estimation of statistical errors. In contrast to path-integral Monte Carlo results, this method predicts no magic clusters other than that with thirteen molecules.

Keywords

EN

molecular clusters; para-hydrogen clusters

Discipline

• 36.40.-c: Atomic and molecular clusters(see also 61.46.-w Nanoscale materials in condensed matter)
• 61.46.Bc: Structure of clusters (e.g., metcars; not fragments of crystals; free or loosely aggregated or loosely attached to a substrate)(see also 61.48.-c for structure of fullerenes)

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2008
• Volume: 6
• Issue: 1
• Pages: 33-37

Dates

published

1 - 3 - 2008

online

26 - 3 - 2008

Contributors

author

Rafael Guardiola

• Departamento de Física Atómica y Nuclear, Facultad de Física, 46100, Burjassot, Spain

author

Jesús Navarro

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Identifiers

DOI

10.2478/s11534-008-0019-z