Rovibrationally averaged magnetizability, rotational g factor, and indirect spin–spin coupling of the hydrogen fluoride molecule

Publisher Website
Google Scholar
Abstract
The magnetizability tensor, the rotational g factor, and the indirect nuclear spin–spin coupling constant of the hydrogen fluoride molecule have been calculated using large multiconfigurational self-consistent field wave functions and large basis sets. For a critical comparison with experiment, rovibrational corrections have also been calculated. For the magnetizability tensor and the spin–spin coupling constant, we present results with higher precision than available experimental data; for the rotational g factor, our results are in good agreement with experiment.