The nuclear spin–spin coupling constant in He2
- 22 December 2000
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 113 (24) , 10835-10836
- https://doi.org/10.1063/1.1332994
Abstract
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 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.
Keywords
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