NONLINEARLY VIBRATIONAL ENERGY-SPECTRA OF MOLECULAR CRYSTALS

摘要

The nonlinear quantum vibrational energy spectra of amide-I in the molecular crystals acetanilide are calculated by using the discrete nonlinear Schrodinger equation appropriate to this kind of crystals. The numerical results obtained by this method are in good agreement with the experimental values. Meanwhile, the energy levels at high excited states have also been obtained for the acetanilide, which is helpful in researching the Raman scattering and infrared absorption properties of the this kind of crystals.