Computationally Efficient Algorithm in Cluster Geometry Optimization

被引：3
|
作者：
Sarkar, Kanchan [1 ]
Bhattacharyya, S. P. [1 ]
机构：
[1] Indian Assoc Cultivat Sci, Dept Phys Chem, Kolkata 700032, India
来源：
SOLID STATE PHYSICS, VOL 57 | 2013年 / 1512卷
关键词：
Global optimization; geometry optimization; ionic cluster; crystal structure;
D O I：
10.1063/1.4790961
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
A simple adaptive heuristic to optimize the geometries of clusters of charged particles or atoms and find the global minimum energy configurations has been proposed. The approach uses random mutations of one single configuration and accepts moves that decrease the energy. Mutation probability and mutation intensity are allowed to evolve adaptively
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页码：162 / 163
页数：2
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