Ca impurity in small mixed He-4-He-3 clusters
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Ca impurity in small mixed He-4-He-3 clusters

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Ca impurity in small mixed He-4-He-3 clusters

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dc.contributor.author Guardiola Barcena, Rafael
dc.contributor.author Navarro Faus, Jesús
dc.contributor.author Mateo, David
dc.contributor.author Barranco, Manuel
dc.date.accessioned 2014-07-11T10:51:57Z
dc.date.available 2014-07-11T10:51:57Z
dc.date.issued 2009
dc.identifier.uri http://hdl.handle.net/10550/37184
dc.description.abstract The structure of small mixed helium clusters doped with one calcium atom has been determined within the diffusion Monte Carlo framework. The results show that the calcium atom sits at the 4He-3He interface. This is in agreement with previous studies, both experimental and theoretical, performed for large clusters. A comparison between the results obtained for the largest cluster we have considered for each isotope shows a clear tendency of the Ca atom to reside in a deep dimple at the surface of the cluster for 4He clusters, and to become fully solvated for 3He clusters. We have calculated the absorption spectrum of Ca around the 4s4p←4s2 transition and have found that it is blue-shifted from that of the free-atom transition by an amount that depends on the size and composition of the cluster.
dc.language.iso eng
dc.relation.ispartof Journal of Chemical Physics, 2009, vol. 131, num. 17, p. 174110-1-174110-6
dc.rights.uri info:eu-repo/semantics/openAccess
dc.source Guardiola Barcena, Rafael Navarro Faus, Jesús Mateo, David Barranco, Manuel 2009 Ca impurity in small mixed He-4-He-3 clusters Journal of Chemical Physics 131 17 174110-1 174110-6
dc.subject Física
dc.title Ca impurity in small mixed He-4-He-3 clusters
dc.type info:eu-repo/semantics/article
dc.date.updated 2014-07-11T10:51:57Z
dc.identifier.doi http://dx.doi.org/10.1063/1.3258273
dc.identifier.idgrec 058736

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