Hyperfine Structure Constants for Diatomic Molecules
I Tupitsyn, Svetlana A. Kotochigova
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.
and Kotochigova, S.
Hyperfine Structure Constants for Diatomic Molecules, Journal of Research (NIST JRES), National Institute of Standards and Technology, Gaithersburg, MD
(Accessed May 28, 2023)