Molecular dynamics of water in a strong electric field: Electric-field-induced translational anisotropy

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Abstract
The molecular dynamics of water in an anisotropic environment are investigated with autocorrelation and cross-correlation functions in the laboratory and moving frames of reference. The anisotropy is generated by an uniaxial electric field which destroys the invariance of the Hamiltonian to symmetry operations in the laboratory frame of reference, thus making possible the appearance of new time correlations in this frame. The effect of the electric field is recorded systematically in terms of the symmetry of cross-correlation tensors and the anisotropy induced in autocorrelation functions. The field-induced anisotropy in the diagonal elements of the center-of-mass velocity autocorrelation function suggests a new experimental method of detecting directly the effect of rotation-translation coupling on the single-molecule level.

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