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ABSTRACT

Green 1973

Green, S., 1973: Dipole moment and hyperfine constants of OD A2Σ+ from ab initio calculations. J. Chem. Phys., 58, 4327-4330, doi:10.1063/1.1678989.

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.

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