DOI

The multiconfiguration valence-bond method (VB) is applied to diatomic molecules using the Hartree-Fock (HF) atomic basis set. The hyperfine constant, Fermi contact term, is computed as a function of the interatomic separation for the X2Πground state of 17OH and X1Σ ground state of 107AgH+ molecules. This study leads to a number of conclusions about the influence of correlation and polarization effects on the hyperfine structure of hydrogenic molecules. The calculated values of the Fermi contact term are found to agree within 1 % of the experimental values wherever available.

Original languageEnglish
Pages (from-to)205-207
Number of pages3
JournalJournal of Research of the National Institute of Standards and Technology
Volume103
Issue number2
DOIs
StatePublished - 1 Jan 1998

    Research areas

  • Diatomic molecules, Fermi contact term, Hyperfine structure, OH molecule, Valence-bond method

    Scopus subject areas

  • Engineering(all)

ID: 49763752