The energy spectrum of vibration of molecules in water and its properties

The energy spectra of vibration of OH and HOH bonds in molecules in liquid water are calculated using the dynamic equation in nonlinearly self-trapping theory. The eigenenergies and eigenfunctions of the first, second, third and nth excited states of stretching vibration of OH bond as well as of first and second excited states of stretching and bending vibrations of HOH bond are obtained, respectively. From comparing them with those obtained in normal model and localized model we find that the calculated results approach more to the experimental values relative to those obtained from normal and local models. These results are helpful to explain well the optical properties of water.