Gravitational smoothing as a global optimization strategy

被引：4
|
作者：
Whitfield, TW [1 ]
Straub, JE [1 ]
机构：
[1] Boston Univ, Dept Chem, Boston, MA 02215 USA
来源：
JOURNAL OF COMPUTATIONAL CHEMISTRY | 2002年 / 23卷 / 11期
关键词：
global optimization; Lennard-Jones; clusters potential deformation;
D O I：
10.1002/jcc.10106
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An optimization scheme for atomic cluster structures, based on exaggerating the importance of the (Travitational force, is introduced. Results are presented for calculations on Lennard-Jones clusters of 13, 38, and 55 atoms, and the 13-atom Morse cluster. (C) 2002 Wiley Periodicals, Inc.
引用
收藏
页码：1100 / 1103
页数：4
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