Carsten Peterson, Ola Sommelius and Bo Söderberg
A Blocking Technique for Emulating Very Large Polyelectrolytes
Physical Review Letters 76, 1079-1082 (1996)
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 Q3. It is explored with emphasis on room temperature. Results for N=10000 are presented.
LU TP 95-24