A diffusion Monte Carlo study of small para-hydrogen clusters |
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Authors: | Rafael Guardiola Jesús Navarro |
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Affiliation: | (1) Departamento de Física Atómica y Nuclear, Facultad de Física, 46100 Burjassot, Spain;(2) IFIC (CSIC-Universidad de Valencia), Apdo. 22085, 46071 Valencia, Spain |
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Abstract: | 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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Keywords: | molecular clusters para-hydrogen clusters |
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