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Weakly bound finite systems: (4He)N–Rb2(3Σu), clustering structures from a quantum Monte Carlo approach

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dc.contributor.coauthorLopez-Duran, D.
dc.contributor.coauthorRodriguez-Cantano, R.
dc.contributor.coauthorGonzalez-Lezana, T.
dc.contributor.coauthorDelgado-Barrio, G.
dc.contributor.coauthorVillarreal, P.
dc.contributor.coauthorGianturco, F. A.
dc.contributor.departmentDepartment of Chemistry
dc.contributor.kuauthorYurtsever, İsmail Ersin
dc.contributor.kuprofileFaculty Member
dc.contributor.otherDepartment of Chemistry
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.contributor.yokid7129
dc.date.accessioned2024-11-09T23:42:38Z
dc.date.issued2012
dc.description.abstractWe report here (He-4)(N)-Rb-2((3)Sigma(u)) complexes, 2 <= N <= 20, analysed through a quantum diffusion Monte Carlo stochastic approach. The calculations show that the spin stretched dimer molecule is bound outside the pure He sub-complex, due to the stronger He-He potential as compared with the He-Rb-2 interaction, while the rare gas atom moiety presents, in turn, a shell-like structure with ten He adatoms completing the first shell. Our results agree with previous findings on this and similarly weakly interacting systems.
dc.description.indexedbyWoS
dc.description.indexedbyScopus
dc.description.indexedbyPubMed
dc.description.issue10
dc.description.openaccessNO
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuN/A
dc.description.sponsorshipMICINN [FIS2007-62006, FIS2010-18132]
dc.description.sponsorshipSpanish program JAE-PREDOC [JAE-Pre-2010-01277]
dc.description.sponsorshipSpanish program JAE-DOC [E-28-2009-0448699]
dc.description.sponsorshipCOST Action [CM1002] The authors thank the Centro de Calculo (IFF, CSIC), Centro Tecnico de Informatica (CTI, CSIC), and Centro de Supercomputacion de Galicia (CESGA) for the computational aid. This work has been supported by MICINN, Grants Nos FIS2007-62006 and FIS2010-18132. RR-C and DL-D acknowledge the Spanish programs JAE-PREDOC, grant No. JAE-Pre-2010-01277, and JAE-DOC, Contract Id. E-28-2009-0448699, respectively. The support of COST Action CM1002 (CODECS) is also appreciated.
dc.description.volume24
dc.identifier.doi10.1088/0953-8984/24/10/104014
dc.identifier.eissn1361-648X
dc.identifier.issn0953-8984
dc.identifier.quartileQ3
dc.identifier.scopus2-s2.0-84857397083
dc.identifier.urihttp://dx.doi.org/10.1088/0953-8984/24/10/104014
dc.identifier.urihttps://hdl.handle.net/20.500.14288/13358
dc.identifier.wos301176300017
dc.keywordsLiquid-Helium
dc.keywordsAlkali Atoms
dc.keywordsSpectroscopy
dc.keywordsDimers
dc.keywordsDopant
dc.languageEnglish
dc.publisherIop Publishing Ltd
dc.sourceJournal of Physics-Condensed Matter
dc.subjectPhysics
dc.subjectCondensed matter
dc.titleWeakly bound finite systems: (4He)N–Rb2(3Σu), clustering structures from a quantum Monte Carlo approach
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.authorid0000-0001-9245-9596
local.contributor.kuauthorYurtsever, İsmail Ersin
relation.isOrgUnitOfPublication035d8150-86c9-4107-af16-a6f0a4d538eb
relation.isOrgUnitOfPublication.latestForDiscovery035d8150-86c9-4107-af16-a6f0a4d538eb

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