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Please use this identifier to cite or link to this item: http://hdl.handle.net/1843/64006
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dc.creatorLeonardo Gabriel Dinizpt_BR
dc.creatorNikita Kirnosovpt_BR
dc.creatorAlexander Alijahpt_BR
dc.creatorJosé Rachid Mohallempt_BR
dc.creatorLudwik Adamowiczpt_BR
dc.date.accessioned2024-02-16T13:23:50Z-
dc.date.available2024-02-16T13:23:50Z-
dc.date.issued2016-
dc.citation.volume322pt_BR
dc.citation.spage22pt_BR
dc.citation.epage28pt_BR
dc.identifier.doihttps://doi.org/10.1016/j.jms.2016.03.001pt_BR
dc.identifier.issn0022-2852pt_BR
dc.identifier.urihttp://hdl.handle.net/1843/64006-
dc.description.resumoA very accurate dipole moment curve (DMC) for the ground X1 Rþ electronic state of the 7LiH molecule is reported. It is calculated with the use of all-particle explicitly correlated Gaussian functions with shifted centers. The DMC – the most accurate to our knowledge – and the corresponding highly accurate potential energy curve are used to calculate the transition energies, the transition dipole moments, and the Einstein coefficients for the rovibrational transitions with DJ ¼ 1 and Dv 6 5. The importance of the non-adiabatic effects in determining these properties is evaluated using the model of a vibrational R-dependent effective reduced mass in the rovibrational calculations introduced earlier (Diniz et al., 2015). The results of the present calculations are used to assess the quality of the two complete linelists of 7 LiH available in the literature.pt_BR
dc.description.sponsorshipCNPq - Conselho Nacional de Desenvolvimento Científico e Tecnológicopt_BR
dc.description.sponsorshipCAPES - Coordenação de Aperfeiçoamento de Pessoal de Nível Superiorpt_BR
dc.languageengpt_BR
dc.publisherUniversidade Federal de Minas Geraispt_BR
dc.publisher.countryBrasilpt_BR
dc.publisher.departmentICX - DEPARTAMENTO DE FÍSICApt_BR
dc.publisher.initialsUFMGpt_BR
dc.relation.ispartofJournal of Molecular Spectroscopy-
dc.rightsAcesso Restritopt_BR
dc.subjectDipole momentpt_BR
dc.subjectEinstein coefficientspt_BR
dc.subjectNon-adiabatic effectspt_BR
dc.subject.otherMomentos dipolarespt_BR
dc.subject.otherHidreto de lítiopt_BR
dc.titleAccurate dipole moment curve and non-adiabatic effects on the high resolution spectroscopic properties of the LiH moleculept_BR
dc.typeArtigo de Periódicopt_BR
dc.url.externahttps://www.sciencedirect.com/science/article/pii/S0022285216300297pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0001-6994-2045pt_BR
dc.identifier.orcidhttp://orcid.org/0000-0002-4915-0558pt_BR
dc.identifier.orcidhttps://orcid.org/0000-0002-4776-4417pt_BR
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