The unrestricted Hartree-Fock method with spin annihilation in the LCGO-MO approximation is used to calculate the hyperfine coupling constants for sodium and hydrogen in the NaH+ free radical for various bond lengths. The experimental result, that the hyperfine coupling to the proton is larger than in the free atom, is predicted theoretically. Similar results are also reported for LiH+.
T. A. Claxton and D. McWilliams, Trans. Faraday Soc., 1970, 66, 513 DOI: 10.1039/TF9706600513
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