Tupitsyn, I.
and Kotochigova, S.
(1998),
Hyperfine Structure Constants for Diatomic Molecules, Journal of Research (NIST JRES), National Institute of Standards and Technology, Gaithersburg, MD
(Accessed May 28, 2023)
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Hyperfine Structure Constants for Diatomic Molecules
Published
Author(s)
I Tupitsyn,
Abstract
The contact term Ac of magnetic hyperfine parameters as a function of internuclear distance R was computed, using the all-electron Valence-Bond method, Hartzee-Fock atomic basis set and configuration-interaction wave functions. Parameters were calculated for 2II state of OH and ^1^[Sigma} state of AgH+ molecules and were found to be within 1% of the accurate experimental values.Citation
Journal of Research (NIST JRES) -
Volume
103 No. 2
NIST Pub Series
Pub Type
NIST Pubs
Keywords
AgH+ molecule, diatomic molecules, Fermi contact term, hyperfine structure, OH molecule, valence-bond method
Citation
Created February 28, 1998, Updated October 12, 2021