Many-Body Perturbation Calculation of the Indirect Spin-Spin Coupling Constant in HD Molecule

Abstract

The linked-cluster many-body perturbation approach has been applied to the study of indirect nuclear spin-spin coupling constant ${J}_{\mathrm{HD}}$ in HD molecule. The complete set of states used were the bound and continuum states of $\mathrm{H}_{2}^{}{}_{}{}^{+}$ molecular ion with the internuclear separation appropriate to ${\mathrm{H}}_{2}$ molecule. Our calculated value of ${J}_{\mathrm{HD}}$ through the Fermi contact interaction mechanism is +42.57 Hz in good agreement with the most recent experimental value of +42.7\ifmmode\pm\else\textpm\fi{}0.7 Hz.