A Method for Handling Branch Points in Monte Carlo Simulations

Abstract

A general procedure is described for introducing branch point relaxation into a Metropolis Monte Carlo simulation of molecules expressed on the discrete space of a lattice. The lattice may be of any type. When applied to regular tri- and tetrafunctional stars represented by self-avoilding walks on a high-coordination lattice, the method produces the expected behavior for the mean square dimensions, displacement of the center of the mass, and the times for internal relaxation of the branches. The method is easily generalized to branch points of higher functionality and molecules that contain multiple branch points.