Relativistic coupled cluster theory is used to determine accurate electric field gradients in order to provide a theoretical value for the nuclear quadrupole moment of . Here we used the diatomic lanthanum monohalides LaF, LaCl, LaBr, and LaI as accurate nuclear quadrupole coupling constants are available from rotational spectroscopy by Rubinoff et al. [J. Mol. Spectrosc. 218, 169 (2003)]. The resulting nuclear quadrupole moment for is in excellent agreement with earlier work using atomic hyperfine spectroscopy .
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