Time-dependent relativistic density functional study of Yb and YbO
文献类型：期刊论文
| 作者 | Xu WenHua; Zhang Yong; Liu WenJian1 |
| 刊名 | SCIENCE IN CHINA SERIES B-CHEMISTRY
 |
| 出版日期 | 2009-11-01 |
| 卷号 | 52期号:11页码:1945-1953 |
| 关键词 | Lanthanide Compound Excited States F-orbital Transitions Time-dependent Relativistic Density Functional Theory Exact Two-component Hamiltonian |
| ISSN号 | 1006-9291 |
| DOI | 10.1007/s11426-009-0279-5 |
| 英文摘要 | The low-lying electronic states of Yb and YbO are investigated by using time-dependent relativistic density functional theory, which is based on the newly developed exact two-component Hamiltonian resulting from symmetrized elimination of the small component. The nature of the excited states is analyzed by using the full molecular symmetry. The calculated results support the previous experimental assignment of the ground and excited states of YbO. |
| 语种 | 英语 |
| WOS记录号 | WOS:000272032700028 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67345]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Liu WenJian |
| 作者单位 | 1.Peking Univ, Beijing Natl Lab Mol Sci,Coll Chem & Mol Engn, Inst Theoret & Computat Chem, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China 2.Peking Univ, Ctr Computat Sci & Engn, Beijing 100871, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu WenHua,Zhang Yong,Liu WenJian. Time-dependent relativistic density functional study of Yb and YbO[J]. SCIENCE IN CHINA SERIES B-CHEMISTRY,2009,52(11):1945-1953. |
| APA | Xu WenHua,Zhang Yong,&Liu WenJian.(2009).Time-dependent relativistic density functional study of Yb and YbO.SCIENCE IN CHINA SERIES B-CHEMISTRY,52(11),1945-1953. |
| MLA | Xu WenHua,et al."Time-dependent relativistic density functional study of Yb and YbO".SCIENCE IN CHINA SERIES B-CHEMISTRY 52.11(2009):1945-1953. |
入库方式： OAI收割
来源：化学研究所
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