Abstract
Starting from an ab initio intermolecular potential, we have calculated the mean field states for the librations in the ordered α and γ phases of solid N2, using a basis of spherical harmonics up to lmax=12. The correlation between the mean field solutions was then taken into account via a libron model based on the random-phase approximation or time-dependent Hartree method. The calculated librational frequencies are rather accurate, showing that the discrepancies in earlier results with the ab initio potential are mainly due to the breakdown of (quasi-)harmonic models for the librations, even in the ordered phases.
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