Influence of the potential model parameters on the structures and potential energy surface of cobalt clusters
详细信息 查看全文
- 作者：Xia Wua ; xiawu@aqtc.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Zheng Weia ; Yan Sunb ; Yi-Lin Fenga ; Qi-Man Liua
- 关键词：Atomic clusters ; Gupta potential ; Global optimization ; Potential range ; Potential energy surface
- 刊名：Chemical Physics Letters
- 出版年：2016
- 出版时间：1 September 2016
- 年：2016
- 卷：660
- 期：Complete
- 页码：11-17
- 全文大小：2243 K
文摘
- •
Four parameter sets obtained from references for Co clusters with the Gupta potential were compared.
- •
The geometrical optimization of Co cluster was performed with three efficient algorithms.
- •
The global minimal structures, average bond length, and potential energy surface were studied.
- •
The difference between the potential energy surfaces with four parameter sets was analyzed.