Potential energy surface intersections in triatomic moleculesCarter, S., Mills, I. and Dixon, R. N. (1984) Potential energy surface intersections in triatomic molecules. Journal of Molecular Spectroscopy, 106 (2). pp. 411-422. ISSN 0022-2852 Full text not archived in this repository. It is advisable to refer to the publisher's version if you intend to cite from this work. See Guidance on citing. To link to this item DOI: 10.1016/0022-2852(84)90171-1 Abstract/SummaryThe different types of surface intersection which may occur in linear configurations of triatomic molecules are reviewed, particularly with regard to the way in which the degeneracy is split as the molecule bends. The Renner-Teller effect in states of symmetry Π, Δ, Φ, etc., and intersections between Σ and Π, Σ and Δ, and Π and Δ states are discussed. A general method of modelling such intersecting potential surfaces is proposed, as a development of the model previously used by Murrell and Carter and co-workers for single-valued surfaces. Some of the lower energy surfaces of H2O, NH2, O3, C3, and HNO are discussed as examples.
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