Re-evaluation of some select SinH2m clusters using genetic algorithms

被引：9

作者：

Chakraborti, N ^{[1
]}

Kumar, R ^{[1
]}

机构：

[1] Indian Inst Technol, Dept Met & Mat Engn, Kharagpur 721302, W Bengal, India

来源：

JOURNAL OF PHASE EQUILIBRIA | 2003年 / 24卷 / 02期

关键词：

D O I：

10.1361/105497103770330749

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：

Energy minimization studies were carried out for a number of hydrogenated silicon clusters of the type SinH2m using a Tight-Binding model coupled with the biologically inspired optimizer, genetic algorithms (GAs). The results are compared with a previously published report on these clusters where the ground state geometry optimizations were not carried out. The optimized results fully resolved the cluster configurations in three dimensions, which are often different from the un-optimized configurations reported earlier.

引用

页码：132 / 139

页数：8

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