Abstract
The time correlation functions of molecular configurational variables are calculated using a mode-coupling expansion of the Smoluchowski generalized diffusion equation with hydrodynamic interactions. For fluctuating three-dimensional structures the computation of the dynamics of the rigid limit represents a fundamental first step in the mode-coupling approach. For large rigid systems, using the three first-order vector modes of a noninfinite rate, higher order basis sets of the proper tensor rank are built to give the required mode-coupling dynamics. The results are found to be in very good agreement with the exact results obtained by an analytical solution of the rotational diffusion equation of rigid bodies. These rigid limits give simple accurate basis sets in the maximum correlation approximation (MCA) to the mode-coupling diffusion dynamics of fluctuating stiff synthetic polymers and biopolymers such as proteins and DNA double helices.
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