Potential energy surface intersections in triatomic molecules
Carter, 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
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To link to this article DOI: 10.1016/0022-2852(84)90171-1
The 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.