HFS Constants of OH Ground State

Abstract

Fermi contact term at the proton in the OH ground state is pointed out to be negative either from a simple qualitative consideration or from an LCAO MO CI calculation. The calculated value agrees well with the experimental value revised recently by Radford. Other hfs constants, 〈1/r³〉_H and 〈2P₂(cos_χ)/r³〉_H, are also calculated by a single configuration approximation with the use of an analytical Hartree—Fock orbital. The results agree quite well with the experiment, although the agreement is somewhat worse for 〈sin²_χ/r³〉_H.