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Title:	Solidification of small p-H(2) clusters at zero temperature
Author:	Sola, E.; Boronat Medico, Jordi
Other authors:	Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear; Universitat Politècnica de Catalunya. SIMCON - Grup de Recerca de Simulació per Ordinador en Matèria Condensada
Abstract:	We have determined the ground-state energies of para-H2 clusters at zero temperature using the diffusion Monte Carlo method. The liquid or solid character of each cluster is investigated by restricting the phase through the use of proper importance sampling. Our results show inhomogeneous crystallization of clusters, with alternating behavior between liquid and solid phases up to N = 55. From there on, all clusters are solid. The ground-state energies in the range N = 13−75 are established, and the stable phase of each cluster is determined. In spite of the small differences observed between the energy of liquid and solid clusters, the corresponding density profiles are significantly different, a feature that can help to solve ambiguities in the determination of the specific phase of H2 clusters.
Subject(s):	-Àrees temàtiques de la UPC::Física -Monte Carlo method -Mètode de Montecarlo
Rights:	Attribution-NonCommercial-NoDerivs 3.0 Spain http://creativecommons.org/licenses/by-nc-nd/3.0/es/
Document type:	Article - Published version Article
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