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dc.contributor.authorMárquez-Mijares, Maykel-
dc.contributor.authorPérez de Tudela, Ricardo-
dc.contributor.authorGonzález-Lezana, Tomás-
dc.contributor.authorRoncero, Octavio-
dc.contributor.authorMiret-Artés, Salvador-
dc.contributor.authorDelgado Barrio, Gerardo-
dc.contributor.authorVillarreal, Pablo-
dc.contributor.authorBaccarelli, Isabella-
dc.contributor.authorGianturco, Franco Antonio-
dc.contributor.authorRubayo-Soneira, Jesús-
dc.identifier.citationJournal of Chemical Physics 130(15): 154301 (2009)en_US
dc.description11 pages, 2 figures, 4 tables.-- PACS nrs.: 33.20.Vq; 33.20.Sn; 33.15.Mt; 33.20.Tp; 31.15.xt.en_US
dc.description.abstractA detailed study of the rovibrational spectrum of the Ar trimer is performed by means of an exact hyperspherical coordinate (HC) method and a variational approach based on distributed Gaussian functions (DGFs) to describe the interparticle distances. The good agreement observed between the energy levels obtained with both procedures for high values of the total angular momentum (J=15 and 20) reveals the quality of the DGF method to describe the rotation of the title system. Rotational constants for the lowest bound states, obtained as averages for each vibrational state, have been obtained and compared to previous results. A detailed analysis of density probability functions obtained by means of the HC approach for rovibrational states at J=0 and 20 shows close similitudes thus supporting the vibration-rotation separation adopted within the DGF scheme for the Ar3 system.en_US
dc.description.sponsorshipSupport from the Spanish MEC and CSIC under Grant Nos. FIS2007-62006 and 200650I134 is acknowledged. The support from Italy-Spain Collaborative Action is also acknowledged.en_US
dc.format.extent345526 bytes-
dc.publisherAmerican Institute of Physicsen_US
dc.subjectAngular momentumen_US
dc.subjectBound statesen_US
dc.subjectRotational statesen_US
dc.subjectRotational-vibrational statesen_US
dc.subjectVariational techniquesen_US
dc.subjectVibrational statesen_US
dc.subject[PACS] Vibration-rotation analysis (molecular spectra)en_US
dc.subject[PACS] Rotational analysis (molecular spectra)en_US
dc.subject[PACS] Molecular rotation, vibration, and vibration-rotation constantsen_US
dc.subject[PACS] Vibrational analysis (molecular spectra)en_US
dc.subject[PACS] Variational techniques in atomic and molecular physicsen_US
dc.titleA theoretical investigation on the spectrum of the Ar trimer for high rotational excitationsen_US
dc.description.peerreviewedPeer revieweden_US
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