A connectivity table for cluster similarity checking in the evolutionary optimization method

被引：52

作者：

Cheng, LJ ^{[1
]}

Cai, WS ^{[1
]}

Shao, XG ^{[1
]}

机构：

[1] Univ Sci & Technol China, Dept Chem, Anhua 230026, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2004年 / 389卷 / 4-6期

基金：

中国国家自然科学基金;

关键词：

D O I：

10.1016/j.cplett.2004.03.125

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：

A novel and effective cluster similarity checking method using the connectivity table (CT) is proposed in this study. Because CT contains the topological information of a cluster, configurations at different funnels on the potential energy surface (PES) show great difference in their CTs. An adaptive immune optimization algorithm (AIOA) is utilized for optimization of Lennard-Jones (LJ) clusters up to LJ(110) using the CT for similarity checking. It is proved that the method is very efficient, and the method is also capable for optimizations of larger clusters, e.g., LJ(200). (C) 2004 Elsevier B.V. All rights reserved.

引用

页码：309 / 314

页数：6

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