TY  - JOUR
AU  - Warnecke, S.
AU  - Sevryuk, M. B.
AU  - Ceperley, D. M.
AU  - Toennies, J. P.
AU  - Guardiola, R.
AU  - Navarro, J.
PY  - 2010
DA  - 2010//
TI  - The structure of para-hydrogen clusters
T2  - Eur. Phys. J. D
JO  - European Physical Journal D
SP  - 353
EP  - 358
VL  - 56
IS  - 3
PB  - Springer
AB  - The path integral Monte Carlo calculated radial distributions of para-hydrogen clusters (p-H-2) N consisting of N = 4-40 molecules interacting via a Lennard-Jones potential at T = 1.5 K show evidence for additional peaks compared to radial distributions calculated by diffusion Monte Carlo (T = 0 K) and path integral Monte Carlo at T <= 0.5 K. 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.
SN  - 1434-6060
UR  - https://doi.org/10.1140/epjd/e2009-00300-9
DO  - 10.1140/epjd/e2009-00300-9
LA  - English
N1  - ISI:000274327600008
ID  - Warnecke_etal2010
ER  -