Comparative study of tetramers built from Ia, IIa, IIIa, and IVa atoms

A simple analysis of the correlated (MRD-CI) wavefunctions of Ia, IIa, IIIa, and IVa tetramers explains the different stabilities of their geometries. The Jahn-Teller and pseudo-Jahn-Teller effects can destabilize very compact, highly symmetrical cluster shapes. Moreover, the s-p hybridization and t...

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Bibliographic Details
Published inSurface science Vol. 156; pp. 650 - 669
Main Authors Koutecký, J., Pacchioni, G., Jeung, G.H., Hass, E.C.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 03.06.1985
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Summary:A simple analysis of the correlated (MRD-CI) wavefunctions of Ia, IIa, IIIa, and IVa tetramers explains the different stabilities of their geometries. The Jahn-Teller and pseudo-Jahn-Teller effects can destabilize very compact, highly symmetrical cluster shapes. Moreover, the s-p hybridization and the electron correlation are very important phenomena which can have decisive influence on the cluster stability.
ISSN:0039-6028
1879-2758
DOI:10.1016/0039-6028(85)90237-7