| Theoretical description of the electronic structure of the alkali hydride cation NaH+. | |
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MedLine Citation:
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PMID: 16839067 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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A theoretical determination of the electronic structure of NaH+ is presented. Potential energy curves and dipole moments have been computed for 48(2)Lambda(+) electronic states (i.e., correlated adiabatically up to Na(6s) + H+) through a model-potential-type method over a wide range of R. Equilibrium distances, transition energies, depths of wells, and/or heights of humps predicted at short and large interatomic separations are reported and compared with available experimental and theoretical values. Variations of the static dipole polarizabilities versus internuclear distance have been determined for the two lowest states. |
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Authors:
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Sylvie Magnier |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The journal of physical chemistry. A Volume: 109 ISSN: 1089-5639 ISO Abbreviation: J Phys Chem A Publication Date: 2005 Jun |
Date Detail:
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Created Date: 2006-07-14 Completed Date: 2007-05-25 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9890903 Medline TA: J Phys Chem A Country: United States |
Other Details:
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Languages: eng Pagination: 5411-4 Citation Subset: - |
Affiliation:
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I.U.F.M. de Bretagne, 153 rue Saint Malo, CS 54310, F-35042 Rennes Cedex. sylvie.magnier@bretagne.iufm.fr |
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