@Article{Ancilotto_etal2016,
author="Ancilotto, F.
and Barranco, M.
and Navarro, J.
and Pi, M.",
title="A Density Functional Approach to Para-hydrogen at Zero Temperature",
journal="Journal of Low Temperature Physics",
year="2016",
publisher="Springer/Plenum Publishers",
volume="185",
number="1-2",
pages="26--38",
optkeywords="Solid and liquid bulk para-hydrogen; Small para-hydrogen clusters; Density functional theory",
abstract="We have developed a density functional (DF) built so as to reproduce either the metastable liquid or the solid equation of state of bulk para-hydrogen, as derived from quantum Monte Carlo zero temperature calculations. As an application, we have used it to study the structure and energetics of small para-hydrogen clusters made of up to molecules. We compare our results for liquid clusters with diffusion Monte Carlo (DMC) calculations and find a fair agreement between them. In particular, the transition found within DMC between hollow-core structures for small N values and center-filled structures at higher N values is reproduced. The present DF approach yields results for (pH) clusters indicating that for small N values a liquid-like character of the clusters prevails, while solid-like clusters are instead energetically favored for .",
optnote="WOS:000382142000003",
optnote="exported from refbase (https://references.ific.uv.es/refbase/show.php?record=2814), last updated on Fri, 07 Oct 2016 09:57:32 +0000",
issn="0022-2291",
doi="10.1007/s10909-016-1481-4",
opturl="https://doi.org/10.1007/s10909-016-1481-4",
language="English"
}