| The Jahn-Teller effect in the 3pe' Rydberg state of H3: review of experimental and ab initio determinations. | |
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MedLine Citation:
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PMID: 23028155 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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The dissociative recombination (DR) of H(3)(+) ions with electrons, producing neutral atomic and molecular fragments, is driven primarily by the vibronic Jahn-Teller (JT) interaction between the electronic components of the pe' e(-)-H(3)(+) collision (Rydberg) channel. The JT parameters characterizing this interaction are therefore of great interest as they are required for the theoretical predictions of the DR cross section. In this contribution, we review various determinations of these quantities that have been made previously, based both on spectroscopic studies of 3pe' Rydberg-excited H(3) states, and on the analysis of the corresponding ab initio H(3) Rydberg potential surfaces near the conical intersection (D(3h) symmetry) for n=3-5. The highly correlated theoretical 3pe' potential surfaces of Mistrík et al. are used for a new determination of both the linear and quadratic JT terms. |
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Authors:
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Ch Jungen; M Jungen; S T Pratt |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Philosophical transactions. Series A, Mathematical, physical, and engineering sciences Volume: 370 ISSN: 1364-503X ISO Abbreviation: Philos Trans A Math Phys Eng Sci Publication Date: 2012 Nov |
Date Detail:
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Created Date: 2012-10-02 Completed Date: 2012-11-13 Revised Date: 2013-04-24 |
Medline Journal Info:
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Nlm Unique ID: 101133385 Medline TA: Philos Trans A Math Phys Eng Sci Country: England |
Other Details:
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Languages: eng Pagination: 5074-87 Citation Subset: - |
Affiliation:
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Laboratoire Aimé Cotton du CNRS, Bâtiment 505, Université de Paris-Sud, 91405 Orsay, France. christian.jungen@lac.u-psud.fr |
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