Low frequency Raman spectra of liquid water, a molecular dynamics simulation

Abstract A molecular dynamics simulation of the low-frequency depolarized Raman spectrum of water is presented and compared with experimental data. The molecular trajectories of 108 water molecules, interacting via the TIP4P effective potential, have been recorded for 200 ps at five thermodynamic states including the supercooled liquid. The Raman spectrum is calculated by truncating the polarizability expansion at the first-order dipole-induced-dipole term. The agreement between the simulated spectra and experiment for the lineshape and intensity enables us to ascribe the light scattering excess around the incident frequency to the dipole-induced-dipole collision-induced contributions.