Abstract

The potential energy curves for the 3Δ and 1Σ + states of NiCO and for the 2Σ + state of CuCO have been calculated by the ab initio CI method employing a large basis set. It is concluded that the electronic ground state of NiCO is a 1Σ + state rather than a 3δ state and that CuCO is not a stable species. Some molecular properties of the 1Σ + and 3Δ states of NiCO have been computed and are compared to each other.

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