Structure of small clusters of parahydrogen molecules

Journal Article · Tue Aug 15 00:00:00 EDT 2006 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.74.025201· OSTI ID:20853148

Guardiola, Rafael ^[1]; Navarro, Jesus ^[2]

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1. Departamento de Fisica Atomica y Nuclear, Facultad de Fisica, 46100 Burjassot (Spain)
2. Instituto de Fisica Corpuscular, Consejo Superior de Investigaciones Cientificas-Universidad de Valencia, Apdo. 22085, 46071 Valencia (Spain)

The ground state energies and the one-body densities of parahydrogen clusters have been systematically calculated by the diffusion Monte Carlo technique in steps of one molecule from 3 to 50 molecules. These calculations show that parahydrogen clusters exhibit a clear geometrical order which excludes any liquidlike structure. A definite confirmation of the magic size for the cluster with 13 molecules is also obtained.

• OSTI ID: 20853148
• Journal Information: Physical Review. A, Vol. 74, Issue 2; Other Information: DOI: 10.1103/PhysRevA.74.025201; (c) 2006 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
DENSITY
DIFFUSION
GROUND STATES
HYDROGEN
MOLECULAR CLUSTERS
MOLECULAR STRUCTURE
MOLECULES
MONTE CARLO METHOD