Abstract
In this paper we report a theoretical investigation of the low-lying electronic states of the ReO molecule by using the recently developed static–dynamic–static second-order perturbation theory. The results confirm the previous experimental finding that the ground state of ReO is 2Δ or 2Δ5/2 after considering spin–orbit coupling. With the aid of the theoretical spectroscopic constants and transition dipole moments, fourteen band systems in emission spectra of ReO reported nearly 40 years ago have finally been assigned to the calculated Ω states. Our results should be of value for further experimental and theoretical studies of the spectra of ReO.
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