To understand matter from a point of view of clusters

被引：0

作者：

X.-Y. Shen

Y.-G. Xu

C.-L. He

H.-T. Liu

J.-M. Li

机构：

[1] Shanghai Jiao Tong University,Department of Physics

[2] Tsinghua University,Department of Physics

来源：

The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics | 2005年 / 34卷

关键词：

Neural Network; Molecular Dynamic; Boiling; Molecular Dynamic Simulation; Dynamic Simulation;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

We present an optimum valence bond scheme to study important stable geometric structures of clusters, by combining the characteristics of frontier molecular orbitals and the first-principle molecular dynamics simulation. It is interesting to note that even for small size clusters it has already provided clues in some macroscopic properties of the second- and the third-row elements in the period table (e.g. melting and boiling point).

引用

页码：109 / 112

页数：3

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