A diffusion Monte Carlo study of small para-hydrogen clusters
Mostra el registre complet de l'element
Visualització
(119.7Kb)
|
|
|
|
|
|
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. |
|
Veure al catàleg Trobes
|
|
|
Aquest element apareix en la col·lecció o col·leccions següent(s)
Mostra el registre complet de l'element