NONLINEARLY VIBRATIONAL ENERGY-SPECTRA OFrnMOLECULAR CRYSTALS

摘要

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