A diffusion Monte Carlo study of small para-Hydrogen clusters
Atomic and Molecular Clusters
2009-11-13 v1
Abstract
Ground state energies and chemical potentials of parahydrogen clusters are calculated from 3 to 40 molecules using the diffusion Monte Carlo technique with two different pH2-pH2 interactions. This calculation improves a previous one by the inclusion of three-body correlations in the importance sampling, by the time step adjustement and by a better estimation of the statistical errors. Apart from the cluster with 13 molecules, no other magic clusters are predicted, in contrast with path integral Monte Carlo results.
Cite
@article{arxiv.0709.4557,
title = {A diffusion Monte Carlo study of small para-Hydrogen clusters},
author = {R. Guardiola and J. Navarro},
journal= {arXiv preprint arXiv:0709.4557},
year = {2009}
}