A diffusion Monte Carlo study of small para-Hydrogen clusters

Details A diffusion Monte Carlo study of small para-Hydrogen clusters A diffusion Monte Carlo study of small para-Hydrogen clusters

2007-09-28

arxiv.org/abs/0709.4557v1

Physics

Atomic and Molecular Clusters

Scientific paper

10.2478/s11534-008-0019-z

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.

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