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Journal of Chemical Physics, Vol.113, No.24, 10835-10836, 2000
The nuclear spin-spin coupling constant in He-2
The scalar nuclear spin-spin coupling constant was calculated for the helium dimer using full configuration interaction (FCI) and EOM-CCSD methods. The Fermi-contact was found to have nonnegligible value of 1.3 Hz at R=5.6 a.u., while the other contributions are zero. This suggests that the nuclear spin-spin coupling constants transmitted through van der Waals interactions are a much more common phenomenon than previously thought. All contributions exhibit sharp exponential decay with the internuclear distance.