Ab initioinvestigation of the vibronic structure of the C2H spectrum
- 1 November 1990
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 71 (4) , 693-719
- https://doi.org/10.1080/00268979000102071
Abstract
A purely ab initio study of the vibronic structure of the X 2Σ+, A 2Π system of C2H is presented. An approach is developed for a simultaneous treatment of three electronic states coupled via the bending and C-C stretching vibrations. On the basis of the results of the present calculations, it is possible to reliably interpret previous experimental findings.Keywords
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