Tight-binding calculations of Si-H clusters using genetic algorithms and related techniques: Studies using differential evolution

被引:16
作者
Chakraborti, N [1 ]
Misra, K
Bhatt, P
Barman, N
Prasad, R
机构
[1] Indian Inst Technol, Dept Met & Mat Engn, Kharagpur 721302, W Bengal, India
[2] Indian Inst Technol, Dept Mat & Met Engn, Kanpur 208016, Uttar Pradesh, India
[3] Indian Inst Technol, Dept Phys, Kanpur 208016, Uttar Pradesh, India
来源
JOURNAL OF PHASE EQUILIBRIA | 2001年 / 22卷 / 05期
关键词
D O I
10.1361/105497101770332668
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 nonorthogonal tight-binding model has been developed for the system containing Si and H, where the energy functional included the contributions of both electronic and pairwise interaction between the atoms. In order to calculate the ground state structures of various clusters, energy minimization was carried out using Differential Evolution: a very recently developed biologically inspired computing technique, belonging, in general, to the family of Genetic Algorithms (GAs), but having a number of advantages over its conventional forms.
引用
收藏
页码:525 / 530
页数:6
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