Quadrupole and hexadecapole couplings for 127I in Li127I -: art. no. 022505

The quadrupole and hexadecapole coupling constants for I-127 in LiI were determined from relativistic Dirac-Fock electronic structure and self-consistent nuclear structure calculations. While the calculated quadrupole coupling constant agrees with the experimental value, the predicted hexadecapole coupling constant ranges between +6 and +20 mHz, which is of opposite sign and about three orders of magnitude smaller than the value deduced from recent high resolution radio-frequency molecular beam measurements [J. Cederberg, D. Olson, A. Nelson, D. Laine, P. Zimmer, M. Welge, M. Feig, T. Hoft, and N. London, J. Chem. Phys. 110, 2431 (1999)].