A Blocking Technique for EmulatingVery Large

نویسندگان

  • Carsten Peterson
  • Ola Sommelius
چکیده

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 cutoo 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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تاریخ انتشار 1995