Quadrupole and hexadecapole couplings for I-127 in (LiI)-I-127 - art. no. 022505

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