Molecular correlations in a supercooled liquid

We present static and dynamic properties of molecular correlation functions S-lmn,S-l'm'n'((q) over right arrow,t) in a simulated supercooled Liquid o f water molecules, as a preliminary effort in the direction of solving the molecular mode-coupling theory (MMCT) equations for supercooled molecular l iquids. The temperature and time dependence of various molecular correlatio n functions, calculated from 250 ns long molecular dynamics simulations, sh ow the characteristic patterns predicted by MMCT and shed light on the driv ing mechanism responsible for the slowing down of the molecular dynamics. W e also discuss the symmetry properties of the molecular correlation functio ns that can be predicted on the basis of the C-2v symmetry of the molecule. Analysis of the molecular dynamics results for the static correlators S-lm n,S-l'm'n'((q) over right arrow) reveals that additional relationships betw een correlators with different signs of n and n' exist. We prove that for m olecules with C-rv symmetry this unexpected result becomes exact at least f or high temperatures.