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Journal article

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

From

Risø National Laboratory for Sustainable Energy, Technical University of Denmark

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
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.

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