Abstract
Abstract By assuming that the ensemble average of statistical mechanics reduces according to group theory several new results are obtained concerning the nature of time cross correlation functions (c.c.f.′s) in the isotropic liquid state of matter. In the laboratory frame (X, Y, Z) group theory allows the possibility for several time c.c.f′s between transport processes of appropriate symmetry. These provide new Green Kubo coefficients that can be investigated in principle by computer simulation and observed experimentally. The rule governing time cross correlation between translational, rotational, and vibrational dynamical variables of a diffusing molecule are deduced both in frame (X, Y, Z) and in the molecule fixed frame (x, y, z) of the point group character tables. The rules are valid for all molecular point groups. The group theoretical considerations are extended to cross correlations between physical properties of different molecules, on preparation for considering by group theory the symmetry of a chemical reaction in solution.
Published Version
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