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The ground state geometry of the Ne+3 trimer

โœ Scribed by H. Hogreve

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
889 KB
Volume
215
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The electronic ground state of Ne~" is studied by multireference conf'lguration interaction calculations. This includes the compotation of potential energy surfaces for Cยฎv and C,v geometries and potential energy curves for the diatomic ion Ne~" (2Z~+). In contrast to the situation for He~" and Ar~, the Ne~" trimer is found only to be metastable in its symmetric collinear configuration Dยฎh and associated state 2Zu+. Slightly deeper energy minima exist for asymmetrical collinear and for C2v geometries, both corresponding to a neutral Ne atom bound by polarization forces to the charged dimer Ne~'. Similar to the other rare gas trimer ions, on a large range of internuclear separations different configurations are separated by only relatively small energy differences leading to the rather floppy structure that is characteristic for these systems.

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