Nonadiabatic investigation of the V–N spectrum of ethylene in a new diabatic representation
- 15 June 1983
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 78 (12) , 7284-7289
Abstract
A nonadiabatic investigation of the V–N spectrum of ethylene has been carried out in a new diabatic representation which is characterized by constant (different from zero, in general) single‐differentiated vibronic couplings which are obtained by imposing symmetry conditions on the adiabatic–diabatic transformation matrix. The present results agree very well with those recently reported in the adiabatic representation [C. Petrongolo, R. J. Buenker, and S. D. Peyerimhoff, J. Chem. Phys. 7 6, 3655 (1982)] and show that the adiabatic basis is better than the diabatic for a nonadiabatic study of this transition. In the Appendix, the present treatment is extended to a many‐state, many‐coordinate problem.Keywords
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