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Hyperfine Structure Constants for Diatomic Molecules

Published

Author(s)

I Tupitsyn, Svetlana A. Kotochigova

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

Keywords

AgH+ molecule, diatomic molecules, Fermi contact term, hyperfine structure, OH molecule, valence-bond method

Citation

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 26, 2024)

Issues

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Created February 28, 1998, Updated October 12, 2021