Dipole moment and hyperfine constants of OD A2Σ+ from ab initio calculations

Abstract

The dipole moment and hyperfine constants of OD (and OH) A2Σ+ have been obtained from ab initio calculations, using self-consistent field and configuration interaction techniques. Special attention has been given to the effects of basis set quality and vibrational motion. For OD A2Σ+ in the ground vibrational level, a value of μ = 1.84±0.06 D is obtained. This is consistent with a recent measurement by Weinstock and Zare but not with an earlier determination of Scarl and Dalby.