HYBRID MONTE-CARLO SIMULATION OF POLYMER-CHAINS

被引：35
|
作者：
IRBACK, A
机构：
[1] Department of Theoretical Physics, University of Lund, S-223 62 Lund
来源：
JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 02期
关键词：
D O I：
10.1063/1.467787
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We develop the hybrid Monte Carlo method for simulations of single off-lattice polymer chains. We discuss implementation and choice of simulation parameters in some detail. The performance of the algorithm is tested on models for homopolymers with short- or long-range self-repulsion, using chains with 16 less than or equal to N less than or equal to 512 monomers. Without excessive fine tuning, we find that the computational cost grows as N-2+z' with 0.64<z'<0.84. In addition, we report results for the scaling of the end-to-end distance, r(1N)similar to N-v(1n N)(-alpha).
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页码：1661 / 1667
页数：7
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