Abstract

The exterior complex rotated Coupled-Channel formulation of potential scattering makes it possible to calculate energies and widths for a non-adiabatic model of a diatomic molecule or quasimolecule. The structure and decay pattern of a diatomic system is in this way described in a non-perturbative way.In this contribution we use the non-adiabatic form of an empirically derivedpotential energy curve matrix, previously used by Martin (1988 J. Chem. Phys. 881997), for the four lowest 2Σ+-states of the CaH radical to demonstratehow one can calculate term positions as well as non-radiative decaywidths in a realistic case for a large range of rovibronic levels. The differencesbetween the previously derived Born-Oppenheimer term values andthe present non-adiabatic results are discussed and compared with previouswork.

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