A model for the Renner–Teller effect in any linear molecule

Abstract

The theory of the Renner–Teller effect is generalized to linear molecules with an arbitrary number of atoms. The present study is restricted to Π electronic states handled in the harmonic approximation. The model Hamiltonian applied excludes the stretching vibrations and end-over-end rotations. On the other hand, it considers the interplay between the vibronic and spin–orbit couplings. Perturbative formulae are derived for some particular coupling cases.

Acknowledgements

I thank Professor C.M. Marian for her hospitality during my stay at the University of Düsseldorf. Financial support from the Deutsche Forschungsgemeinschaft (SFB 663) is gratefully acknowledged.

Notes

Note

Unfortunately, we used the same symbol (l_i) to denote the equilibrium internuclear distances (up to equation (11)) and the vibronic quantum number (starting with equation (30)).