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An extensive literature review on the potential energy surfaces of fifteen atmospheric triatomic molecular systems has been made. The systems are water, nitrogen dioxide, ozone, carbon dioxide, nitrous oxide, and their singly charged positive and negative ions. The potential energy surface characteristics for each molecular system are summarized in the form of adiabatic correlation diagrams between the electronic states of the triatomic molecule and those of the atom, diatomic asymptotes. Where available information allows, such correlation diagrams are constructed not only for the equilibrium symmetry and geometry of the triatomic ground state, but also for other symmetries and geometries as appropriate to the clear indication of the three-dimensional surface characteristics and the general adiabatic asymptotic correlations. The correlation diagrams for each system are discussed in connection with some of its triatomic and atom-diatomic processes.

Computations at the SCF and MCSCF levels have been made on the vertical excitation energies and some of the ground and excited state potential surfaces of the fifteen air triatomic molecules: water, nitrogen dioxide, ozone, carbon dioxide, nitrous oxide, and their positive and negative ions. The results presented are preliminary for the most part. Their accuracy will be assessed in a later report in which correlation effects will be more extensively examined than that have been in the present report.