Abstract
The temperature dependence of the NQR frequency was investigated in terms of the anharmonic libration of a molecule in a crystal. The statistical average value of the electric field gradient at the nuclear site was evaluated by using the eigenvalues and the eigenfunctions which were obtained by solving a spheroidal wave equation as an equation of motion of the molecular libration in a potential of V o sin 2 θ. The present theoretical treatments not only improve the conventional theory in harmonic approximation but also lead to a good agreement between the calculated results and the experimental ones in chlorine and α-nitrogen crystals.
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