Abstract

The effect of second-order vibronic coupling on the adiabatic potential energy surfaces of the symmetric trimer is investigated. Regions of parameter space are found where one, three, four or six minima can coexist on the lower potential energy surface. These minima correspond approximately to electronic wavefunctions either localized on one of the trimer units or delocalized over all centers. Formulae for barrier heights, geometries and delocalization parameters are generalized to include the effects of second-order vibronic coupling.

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