Global minimum structures of Morse clusters as a function of the range of the potential:: 81≤N≤160

被引：32

作者：

Cheng, Longjiu ^{[1
]}

Yang, Jinlong ^{[1
]}

机构：

[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2007年 / 111卷 / 24期

关键词：

D O I：

10.1021/jp072238g

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：

We have attempted to find the putative global minimum structures of Morse clusters for cluster size N = 81-160 as a function of the range of the potential (with potential range rho(0) >= 3.0). Moreover, compared to the results for N <= 80 listed in the Cambridge Cluster Database, a number of new putative global minima are given. A structural and conformational analysis of M-100 for different rho(0) was given. The sequences of the global minima as a function of rho(0) and N were studied, and the zero temperature "phase diagram" was given for an overall view of how the global minima depend upon N and rho(0).

引用

页码：5287 / 5293

页数：7

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