Theoretical study of Na clusters by first principle molecular dynamics calculations
文献类型：期刊论文
| 作者 | Su, CR ; Zhu, J ; Li, JM ; Yang, JL |
| 刊名 | CHINESE PHYSICS LETTERS
 |
| 出版日期 | 1999 |
| 卷号 | 16期号:4页码:262 |
| 关键词 | DENSITY-FUNCTIONAL THEORY SODIUM CLUSTERS TOTAL ENERGY PSEUDOPOTENTIALS APPROXIMATION EFFICIENT EXCHANGE SOLIDS |
| ISSN号 | 0256-307X |
| 通讯作者 | Su, CR (reprint author), Tsing Hua Univ, Dept Phys, Ctr Atom & Mol Sci, Beijing 100084, Peoples R China. |
| 中文摘要 | Based on molecular dynamics simulations with first-principle forces, we have studied the Na clusters. Comparing with available high-precision experimental data (e.g., geometric structure of Na-3), we then can assess validity of various first-principle theoretical methods. The first-principle molecular dynamics method is a powerful tool to study properties of clusters. Therefore, we can elucidate evolution of growth of Na clusters. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-23 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/45654]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Su, CR,Zhu, J,Li, JM,et al. Theoretical study of Na clusters by first principle molecular dynamics calculations[J]. CHINESE PHYSICS LETTERS,1999,16(4):262. |
| APA | Su, CR,Zhu, J,Li, JM,&Yang, JL.(1999).Theoretical study of Na clusters by first principle molecular dynamics calculations.CHINESE PHYSICS LETTERS,16(4),262. |
| MLA | Su, CR,et al."Theoretical study of Na clusters by first principle molecular dynamics calculations".CHINESE PHYSICS LETTERS 16.4(1999):262. |
入库方式： OAI收割
来源：物理研究所
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