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  1. 1 2008

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  1. 1 Guardiola R.

  2. 1 Navarro J.

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A diffusion Monte Carlo study of small para-hydrogen clusters

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Guardiola R., Navarro J.
Open Physics
|
2008
|
vol. 6
|
issue 1
33-37
EN
An improved Monte Carlo diffusion model is used to calculate the ground state energies and chemical potentials of parahydrogen clusters of three to forty molecules, using two different p-H2-p-H2 interactions. The improvement is due to three-body correlations in the importance sampling, to the time step adjustment and to a better estimation of statistical errors. In contrast to path-integral Monte Carlo results, this method predicts no magic clusters other than that with thirteen molecules.
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