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Solidification of small p-H(2) clusters at zero temperature

Autor
Sola, E.; Boronat, J.
Tipus d'activitat
Article en revista
Revista
Russian journal of physical chemistry A
Data de publicació
2011-06-30
Volum
115
Número
25
Pàgina inicial
7071
Pàgina final
7076
DOI
https://doi.org/10.1021/jp112378h Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/13087 Obrir en finestra nova
URL
http://pubs.acs.org/doi/full/10.1021/jp112378h Obrir en finestra nova
Resum
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, an...
Citació
Sola, E.; Boronat, J. Solidification of small p-H(2) clusters at zero temperature. "Russian journal of physical chemistry A", 30 Juny 2011, vol. 115, núm. 25, p. 7071-7076.
Grup de recerca
FIPACOM - First-principles approaches to condensed matter physics: quantum effects and complexity

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