Minimum-energy configurations of metallic clusters obtained by simulated annealing molecular dynamics using an extended-Huckel Hamiltonian

被引：0
|
作者：
Rincón, L [1 ]
机构：
[1] Univ Los Andes, Fac Ciencias, Dept Quim, Merida 5101, Venezuela
来源：
REVISTA MEXICANA DE FISICA | 2001年 / 47卷
关键词：
clusters; structure; stability; molecular dynamics;
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Semiempirical simulated annealing molecular dynamics method using a fictitious Lagrangian has been developed for the study of structural and electronic properties of micro- and nano-clusters. As an application of the present scheme, we study the structure of Na, clusters in the range of n = 2-100, and compared the present calculation with some ab-initio model calculation.
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页码：54 / 58
页数：5
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