GLOBAL GEOMETRY OPTIMIZATION OF CLUSTERS USING A GROWTH STRATEGY OPTIMIZED BY A GENETIC ALGORITHM

被引：52

作者：

HARTKE, B

机构：

[1] Institut für Theoretische Chemie, Universität Stuttgart, D-70569 Stuttgart

来源：

CHEMICAL PHYSICS LETTERS | 1995年 / 240卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(95)00587-T

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 new strategy for global geometry optimization of clusters is presented. Important features are a restriction of search space to favorable nearest-neighbor distance ranges, a suitable cluster growth representation with diminished correlations, and easy transferability of the results to larger clusters. The strengths and possible limitations of the method are demonstrated for Si-10 using an empirical potential.

引用

页码：560 / 565

页数：6

共 20 条

[1]

[Anonymous], 1979, ADV CHEM PHYS, DOI DOI 10.1002/9780470142592.CH2

[2] INTERATOMIC POTENTIAL FOR SILICON CLUSTERS, CRYSTALS, AND SURFACES [J].