Molecular dynamics of liquid water in a circularly polarized external field

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Abstract
The dipole moment of the water molecule has been subjected to an external circularly polarized field of force and the effect on the molecular dynamics evaluated through novel laboratory and moving frame cross correlation functions (ccf ’s) using molecular dynamics computer simulation. The field symmetry is such as to make possible the existence in both frames off diagonal elements of the ccf ’s which disappear at field off equilibrium. The laboratory frame ccf ’s involve simultaneously the rotational and translational motion of the molecule and are not describable with contemporary theories of ‘‘rotational’’ or ‘‘translational’’ diffusion. The simulation shows laboratory frame birefringence in the orientational and rotational velocity autocorrelation functions (acf ’s) in the y (or z) and x axes for a field applied in the x axis. This birefringence is linked to the appearance of ccf elements induced by the circularly polarized field, and its experimental measurement would provide indirect information on the time dependence of these ccf ’s.