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http://hdl.handle.net/10261/14369
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dc.contributor.author | Márquez-Mijares, Maykel | - |
dc.contributor.author | Pérez de Tudela, Ricardo | - |
dc.contributor.author | González-Lezana, Tomás | - |
dc.contributor.author | Roncero, Octavio | - |
dc.contributor.author | Miret-Artés, Salvador | - |
dc.contributor.author | Delgado Barrio, Gerardo | - |
dc.contributor.author | Villarreal, Pablo | - |
dc.contributor.author | Baccarelli, Isabella | - |
dc.contributor.author | Gianturco, Franco Antonio | - |
dc.contributor.author | Rubayo-Soneira, Jesús | - |
dc.date.accessioned | 2009-07-06T08:20:03Z | - |
dc.date.available | 2009-07-06T08:20:03Z | - |
dc.date.issued | 2009-04-15 | - |
dc.identifier.citation | Journal of Chemical Physics 130(15): 154301 (2009) | en_US |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | http://hdl.handle.net/10261/14369 | - |
dc.description | 11 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.abstract | A 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.sponsorship | Support 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.extent | 345526 bytes | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | en_US |
dc.publisher | American Institute of Physics | en_US |
dc.rights | openAccess | en_US |
dc.subject | Angular momentum | en_US |
dc.subject | Argon | en_US |
dc.subject | Bound states | en_US |
dc.subject | Probability | en_US |
dc.subject | Rotational states | en_US |
dc.subject | Rotational-vibrational states | en_US |
dc.subject | Variational techniques | en_US |
dc.subject | Vibrational states | en_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 constants | en_US |
dc.subject | [PACS] Vibrational analysis (molecular spectra) | en_US |
dc.subject | [PACS] Variational techniques in atomic and molecular physics | en_US |
dc.title | A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations | en_US |
dc.type | artículo | en_US |
dc.identifier.doi | 10.1063/1.3115100 | - |
dc.description.peerreviewed | Peer reviewed | en_US |
dc.relation.publisherversion | http://dx.doi.org/10.1063/1.3115100 | en_US |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.openairetype | artículo | - |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | With Fulltext | - |
item.languageiso639-1 | en | - |
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Theoretical_investigation_JChemPhys_2009.pdf | 337,43 kB | Adobe PDF | Visualizar/Abrir |
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