The UHF, PUHF, EHF and CCI methods have been used for calculating the isotropic and anisotropic hyperfine splitting constants and electronic energy of the BeH radical employing 6 different basis sets. In all cases, except for anisotropic h.f.s. constants for the H atom, as the quality of the basis improves (based on the energy criterion) the theoretical values approach the experimental ones.
J. Tiňo, V. Klimo, T. A. Claxton and B. Burton, J. Chem. Soc., Faraday Trans. 2, 1979, 75, 1307 DOI: 10.1039/F29797501307
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