Journal article
Rovibrationally averaged magnetizability, rotational g factor, and indirect spin-spin coupling of the hydrogen fluoride molecule
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.
Language: | English |
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Publisher: | American Institute of Physics |
Year: | 1999 |
Pages: | 9463-9468 |
ISSN: | 10897690 and 00219606 |
Types: | Journal article |
DOI: | 10.1063/1.478912 |
ORCIDs: | Mikkelsen, K.V. |