Nonadiabatic investigation of the V–N spectrum of ethylene in a new diabatic representation

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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. 76, 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.