Effect of Configuration Interactions on the Dissociation Energy and Hyperfine Structure Constants of the NO Molecule

Abstract

By means of a 23-dimensional configuration interaction calculation the energy and eigenfunction of the ground 2II state are determined resulting in dissociation energy of 2.2 ev. The magnetic hyperfine and nuclear quadrupole coupling constants are calculated from this molecular function. The contact term | ψ(0) |2 is obtained as 0.71×10—24 cm—3 which agrees well with experiment. The values of 〈(3cos2χ−1)σ/r3〉Av, 〈sin2χ/r3〉Av, and 〈r−3〉Avare not much affected by the configuration interactions.