A Theoretical Study of Clusters: Realizing Differences between the Second-Row and the Third-Row Elements

XU Ya-Ge; JI Dong; SHEN Xu-Yang; WANG Xiao-Lu; LI Jia-Ming

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A Theoretical Study of Clusters: Realizing Differences between the Second-Row and the Third-Row Elements

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@@ Based on the characteristics of valence bonds and the first-principle molecular dynamics simulation we present an optimum valence bond scheme to study properties of important critical clusters with limited computational effort. The differences between the second-row and the third-row elements belonging to the same families can be understood by examining electronic structures and geometric structures even for small size clusters.

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《中国物理快报：英文版》 |2006年第7期|1757-1760|共4页
作者
XU Ya-Ge; JI Dong; SHEN Xu-Yang; WANG Xiao-Lu; LI Jia-Ming;
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Department of Physics, Shanghai Jiao Tong University, Shanghai 200030;

Department of Physics, Shanghai Jiao Tong University, Shanghai 200030;

Department of Physics, Shanghai Jiao Tong University, Shanghai 200030;

Department of Physics, Shanghai Jiao Tong University, Shanghai 200030;

Department of Physics, Shanghai Jiao Tong University, Shanghai 200030;

Key Laboratory of Atomic and Molecular Nanosciences, Department of Physics, Tsinghua University, Beijing 100084;

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正文语种 chi
中图分类物理学;
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A Theoretical Study of Clusters: Realizing Differences between the Second-Row and the Third-Row Elements

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