A diffusion Monte Carlo study of small para-hydrogen clusters
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A diffusion Monte Carlo study of small para-hydrogen clusters

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A diffusion Monte Carlo study of small para-hydrogen clusters

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Guardiola Barcena, Rafael; Navarro Faus, Jesús
Aquest document és un/a article, creat/da en: 2008
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.

    Guardiola Barcena, Rafael Navarro Faus, Jesús 2008 A diffusion Monte Carlo study of small para-hydrogen clusters Central European Journal Of Physics 6 1 33 37
http://dx.doi.org/10.2478/s11534-008-0019-z
distribuït sota llicència Creative Commons de Reconeixement-NoComercial 3.0 No adaptada

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