Abstract

The scheme proposed by Fumi and Parr for the calculation of electronic energy levels of diatomic molecules is applied to the oxygen molecular ion in the π-electron approximation, using one empirical parameter. The vertical excitation energies from the ground state2πg to the4πu and2πu states are computed as functions of distance between 1.01 a and 1.46 a, and they agree with the observed values within 0.1 eV. The relative position of the4πu and2πu states is predicted correctly. The excitation energies to the unobserved states2Φu,4πg and2Φg were also computed, but should be considered of purely indicative value.

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