A Blocking Technique for Emulating Very Large Polyelectrolytes

Details A Blocking Technique for Emulating Very Large Polyelectrolytes A Blocking Technique for Emulating Very Large Polyelectrolytes

1995-10-20

arxiv.org/abs/chem-ph/9510004v1

Physics

Chemical Physics

7 pages, uuencoded PostScript file

Scientific paper

10.1103/PhysRevLett.76.1079

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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