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 April 2, 2025)
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
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
Issues
If you have any questions about this publication or are having problems accessing it, please contact reflib@nist.gov.
Created February 28, 1998, Updated October 12, 2021