Lattice dynamics and interaction potentials in molecular crystals

This paper, based essentially on the work done in recent years in our laboratory, presents a critical analysis of harmonic and anharmonic calculations of crystal vibrations in the determination of intermolecular potentials. The main purpose is to show that the dynamical properties are specifically sensitive to different terms of the potential and thus that information extracted from vibrational spectra of crystals is of the greatest importance for the theory of intermolecular forces. The most important conclusion is that these calculations point to the development of anisotropic short-range potentials and orient future researches towards the more complex and elaborate anharmonic treatment of crystal vibrations.