Nuclear hyperfine interactions in non-linear semi-rigid molecules

Abstract

From the expression for the hamiltonian in molecular coordinates we obtained previously, the computation of an effective hamiltonian for a nondegenerate electronic state is performed to second order in degenerate perturbation theory. We thus obtain explicitly all dominant parameters for the spin-vibration and spin-rotation interactions; in addition, the parameters associated with the interactions between the magnetic moment induced by the molecular motion and an external magnetic field are computed. The vibrational dependence of these parameters is studied and the hamiltonian is written in a form adapted to the computation of an effective hamiltonian for an arbitrary vibrational state.