首页 | 本学科首页   官方微博 | 高级检索  
     


A Method for Handling Branch Points in Monte Carlo Simulations
Authors:Guoqiang Xu  Wayne L. Mattice
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‐avoiding 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.
Keywords:branch point  Monte Carlo simulation  pivot move  relaxation time  star
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号