https://doi.org/10.1140/epjd/e2009-00300-9
The structure of para-hydrogen clusters
1
Max Planck Institute for Dynamics and Self-Organization,
Bunsenstrasse 10, 37073 Göttingen, Germany
2
Institute of Energy Problems of Chemical Physics, The Russian Academy of
Sciences, Leninskii Prospect 38, Building 2, 119334 Moscow, Russia
3
Department of Physics, University of Illinois at Urbana-Champaign,
Urbana IL 61801, USA
4
IFIC (CSIC-Universidad de Valencia), Apartado 22085, 46071 Valencia, Spain
Corresponding author: navarro@ific.uv.es
Received:
27
August
2009
Revised:
19
October
2009
Published online:
8
December
2009
The path integral Monte Carlo calculated radial distributions of para-hydrogen
clusters 
consisting of N = 4-40 molecules interacting via a
Lennard-Jones potential at 
show evidence for additional peaks
compared to radial distributions calculated by diffusion Monte Carlo (
) and
path integral Monte Carlo at 
. The difference in structures is attributed to quantum delocalization at the lowest temperature.
The new structures at finite temperatures appear to be consistent with
classical structures calculated for an effective Morse potential, which in
order to account for the large zero point energy, is substantially softer
than the Lennard-Jones potential.
PACS: 36.40.-c – Atomic and molecular clusters / 61.25.Em – Molecular liquids / 67.90.+z – Other topics in quantum fluids and solids
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag, 2009
