Ab initio calculations of the electronic states of KRb

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dc.contributor.authorPark, SJko
dc.contributor.authorChoi, YJko
dc.contributor.authorLee, Yoon Supko
dc.contributor.authorJeung, GHko
dc.date.accessioned2013-03-02T19:35:09Z-
dc.date.available2013-03-02T19:35:09Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2000-07-
dc.identifier.citationCHEMICAL PHYSICS, v.257, no.2-3, pp.135 - 145-
dc.identifier.issn0301-0104-
dc.identifier.urihttp://hdl.handle.net/10203/75174-
dc.description.abstractWe have performed large-scale configuration interaction calculations for the electronic states of KRb dissociating into 4s + 5s, 4s + 5p, 4p + 5s, 4s + 4d, 3s + 6s, 5s + 5s, 3d + 5s, 5s + 6p and 5s + 5d using the averaged relativistic effective core potentials. The core-valence correlation effect has been included through the use of the core-polarization potential. The core-core repulsion has been explicitly included by using small-core potential. Comparison with previous calculations without this term shows significant changes of the spectroscopic constants. The spin-orbit effect has been calculated by employing relativistic effective core potentials with spin-orbit operators. The most important changes caused by the spin-orbit interaction is the transformation of the 1 (3)Pi and 2(1)Sigma(+) states into five states characterized by the Ohm quantum number. The 1 (1)Pi state appears to be significantly perturbed by the 2(3)Sigma(+) state through the spin-orbit coupling. The electric dipole moments and transition dipole moments for the excited states are also computed. (C) 2000 Published by Elsevier Science B.V. All rights reserved.-
dc.languageEnglish-
dc.publisherELSEVIER SCIENCE BV-
dc.subjectLASER-INDUCED FLUORESCENCE-
dc.subjectRESONANCE POLARIZATION SPECTROSCOPY-
dc.subjectEFFECTIVE CORE POTENTIALS-
dc.subjectCOLD MOLECULAR-BEAM-
dc.subjectPSEUDOPOTENTIAL CALCULATIONS-
dc.subjectTWIN STATES-
dc.subjectALKALI-
dc.subjectRBCS-
dc.subjectTRANSITION-
dc.subjectATOMS-
dc.titleAb initio calculations of the electronic states of KRb-
dc.typeArticle-
dc.identifier.wosid000088339900002-
dc.identifier.scopusid2-s2.0-0034661037-
dc.type.rimsART-
dc.citation.volume257-
dc.citation.issue2-3-
dc.citation.beginningpage135-
dc.citation.endingpage145-
dc.citation.publicationnameCHEMICAL PHYSICS-
dc.contributor.localauthorLee, Yoon Sup-
dc.contributor.nonIdAuthorPark, SJ-
dc.contributor.nonIdAuthorChoi, YJ-
dc.contributor.nonIdAuthorJeung, GH-
dc.type.journalArticleArticle-
dc.subject.keywordPlusLASER-INDUCED FLUORESCENCE-
dc.subject.keywordPlusRESONANCE POLARIZATION SPECTROSCOPY-
dc.subject.keywordPlusEFFECTIVE CORE POTENTIALS-
dc.subject.keywordPlusCOLD MOLECULAR-BEAM-
dc.subject.keywordPlusPSEUDOPOTENTIAL CALCULATIONS-
dc.subject.keywordPlusTWIN STATES-
dc.subject.keywordPlusALKALI-
dc.subject.keywordPlusRBCS-
dc.subject.keywordPlusTRANSITION-
dc.subject.keywordPlusATOMS-
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