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High precision calculation of multipolar dynamic polarizabilities and two- and three-body dispersion coefficients of atomic hydrogen

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dc.contributor.authorCebim, M. A. [UNESP]
dc.contributor.authorMasili, Mauro
dc.contributor.authorDe Groote, J. J.
dc.contributor.institutionFac COC
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.contributor.institutionUNICEP
dc.date.accessioned2014-05-20T14:20:15Z
dc.date.available2014-05-20T14:20:15Z
dc.date.issued2009-08-01
dc.description.abstractIn this paper we investigate a variationally stable procedure for multipolar dynamic polarizabilities calculation as well as the two- and three-body van der Waals coefficients of the hydrogen atom. This approach provides precise, fast convergent values for real and imaginary frequency-dependent 2 (L) -pole dynamic polarizabilities. Highly accurate two- and three-body van der Waals dispersion coefficients are calculated from dynamic polarizabilities at imaginary photon frequencies. The present approach is also precise for higher interaction orders. The results are compared with previous calculations found in the literature.en
dc.description.affiliationFac COC, Lab Inteligencia Artificial & Aplicacoes, BR-14096175 Ribeirao Preto, SP, Brazil
dc.description.affiliationSão Paulo State Univ, UNESP, Inst Quim, BR-14800900 Araraquara, SP, Brazil
dc.description.affiliationUNICEP, Ctr Univ Cent Paulista, CENIP, Ctr Integrado Pesquisa, BR-13563470 São Carlos, SP, Brazil
dc.description.affiliationUnespSão Paulo State Univ, UNESP, Inst Quim, BR-14800900 Araraquara, SP, Brazil
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.format.extent75-85
dc.identifierhttp://dx.doi.org/10.1007/s00601-009-0051-6
dc.identifier.citationFew-body Systems. Wien: Springer Wien, v. 46, n. 2, p. 75-85, 2009.
dc.identifier.doi10.1007/s00601-009-0051-6
dc.identifier.issn0177-7963
dc.identifier.urihttp://hdl.handle.net/11449/26085
dc.identifier.wosWOS:000268544300001
dc.language.isoeng
dc.publisherSpringer Wien
dc.relation.ispartofFew-Body Systems
dc.relation.ispartofjcr1.134
dc.relation.ispartofsjr0,460
dc.rights.accessRightsAcesso restritopt
dc.sourceWeb of Science
dc.titleHigh precision calculation of multipolar dynamic polarizabilities and two- and three-body dispersion coefficients of atomic hydrogenen
dc.typeArtigopt
dcterms.licensehttp://www.springer.com/open+access/authors+rights?SGWID=0-176704-12-683201-0
dcterms.rightsHolderSpringer Wien
dspace.entity.typePublication
relation.isOrgUnitOfPublicationbc74a1ce-4c4c-4dad-8378-83962d76c4fd
relation.isOrgUnitOfPublication.latestForDiscoverybc74a1ce-4c4c-4dad-8378-83962d76c4fd
unesp.author.orcid0000-0003-4482-6747[3]
unesp.author.orcid0000-0002-9397-1791[2]
unesp.campusUniversidade Estadual Paulista (UNESP), Instituto de Química, Araraquarapt

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Araraquara - IQAR - Instituto de Química