Molecular linear velocity in dielectric and far-infrared spectroscopy

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Abstract
In computer simulations of the molecular dynamics of liquid water from 1 bar, 293 K to 200 kbar, 1043 K, direct statistical correlation has been observed in the laboratory frame of reference between the molecular linear center of mass velocity v and (i) the dipole unit vector μ, and (ii) its time derivative. These results imply that dielectric relaxation and far-infrared absorption spectra are incompletely understood with theories which neglect cross correlations.