dc.creator | Galbis Fuster, Elsa | es |
dc.creator | Douady, J. | es |
dc.creator | Jacquet, E. | es |
dc.creator | Giglio, E. | es |
dc.creator | Gervais, B. | es |
dc.date.accessioned | 2016-10-04T10:57:32Z | |
dc.date.available | 2016-10-04T10:57:32Z | |
dc.date.issued | 2013 | |
dc.identifier.citation | Galbis Fuster, E., Douady, J., Jacquet, E., Giglio, E. y Gervais, B. (2013). Potential energy curves and spin-orbit coupling of light alkali-heavy rare gas molecules. Journal of Chemical Physics, 138 (1), 014314-. | |
dc.identifier.issn | 0021-9606 | es |
dc.identifier.uri | http://hdl.handle.net/11441/46896 | |
dc.description.abstract | The potential energy curves of the X, A, and B states of alkali-rare gas diatomic molecules, MKr and MXe, are investigated for M = Li, Na, K. The molecular spin-orbit coefficients a(R) = 〈2Π 1/2|ĤSO|2Π1/2〉 and b(R) = 〈2Π-1/2|ĤSO| 2Σ1/2〉 are calculated as a function the interatomic distance R. We show that a(R) increases and b(R) decreases as R decreases. This effect becomes less and less important as the mass of the alkali increases. A comparison of the rovibrational properties deduced from our calculations with experimental measurements recorded for NaKr and NaXe shows the quality of the calculations | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | American Institute of Physics Publising LLC | es |
dc.relation.ispartof | Journal of Chemical Physics, 138 (1), 014314-. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Diatomic molecules | es |
dc.subject | Experimental measurements | es |
dc.subject | Inter-atomic distances | es |
dc.subject | Potential energy curves | es |
dc.subject | Rare gas | es |
dc.subject | Spin orbits | es |
dc.subject | Spin-orbit couplings | es |
dc.title | Potential energy curves and spin-orbit coupling of light alkali-heavy rare gas molecules | es |
dc.type | info:eu-repo/semantics/article | es |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessrights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Química Orgánica y Farmacéutica | es |
dc.relation.publisherversion | http://dx.doi.org/10.1063/1.4773019 | es |
dc.identifier.doi | 10.1063/1.4773019 | es |
idus.format.extent | 10 p. | es |
dc.journaltitle | Journal of Chemical Physics | es |
dc.publication.volumen | 138 | es |
dc.publication.issue | 1 | es |
dc.publication.initialPage | 014314 | es |
dc.identifier.idus | https://idus.us.es/xmlui/handle/11441/46896 | |