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A Blocking Technique for Emulating Very Large Polyelectrolytes

C. Peterson·O. Sommelius·B. Soderberg
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Abstract

A new Monte Carlo method for computing thermodynamical properties of very large polyelectrolytes is presented. It is based on a renormalization group relating the original polymer to a smaller system, where in addition to the naively rescaled forces, a corrective nearest-neighbor interaction originating from the short distance Coulomb cutoff is introduced. The method is derived for low T but is in the unscreened case valid for all T. Large polymers with N monomers are emulated by Monte Carlo calculations on smaller systems, K=N/Q. The computational gain of the method is Q^3. It is explored with emphasis on room temperature. Results for N=10000 are presented.

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C. Peterson, O. Sommelius, B. Soderberg. 1995-10-20. A Blocking Technique for Emulating Very Large Polyelectrolytes. https://doi.org/10.1103/physrevlett.76.1079

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