Journal of Chemical Physics, Vol.106, No.12, 4889-4893, 1997
3rd-Order Nonlinear Response of Liquid Water
Third order nonlinear response of liquid water is investigated by using a classical molecular dynamics simulation. The calculated response function yields a marked agreement with the recent experimental results. The physical origins of the third order spectrum is analyzed in terms of the translational and the librational motions. Its temperature dependence and isotope effect are also analyzed.
Keywords:2-DIMENSIONAL RAMAN-SPECTROSCOPY;MOLECULAR-DYNAMICS SIMULATION;LIGHT-SCATTERING;LOW-FREQUENCY;COMPUTER-SIMULATION;VIBRATIONAL SPECTROSCOPY;LIBRATIONAL REGIONS;POTENTIAL FUNCTIONS;SOLVATED ELECTRON;OPTICAL-RESPONSE