| Application of time-dependent density-functional theory to C-6 | |
| Zhou, XL; Bai, YL; Chen, XR; Yang, XD | |
| Corresponding Author | Chen, XR(xrchen@scu.xicp.net) |
| 2004-02-01 | |
| Source Publication | CHINESE PHYSICS LETTERS
 |
| ISSN | 0256-307X |
| Volume | 21Issue:2Pages:283-286 |
| Abstract | We employ a real-space pseudopotential method to determine the ground state structure of the carbon cluster C-6 via simulated annealing and the corresponding optical absorption spectra from the adiabatic time-dependent density-functional theory (TDDFT) and the local density approximation (TDLDA). It is found that the ground state structure of the carbon cluster C-6 belongs to a monocyclic D-3h structure and the calculated spectra exhibit a variety of features that can be used for comparison against future experimental investigations. |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Physics |
| WOS Subject | Physics, Multidisciplinary |
| WOS ID | WOS:000189013100019 |
| Publisher | IOP PUBLISHING LTD |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/118958 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Chen, XR |
| Affiliation | 1.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 2.Yibin Univ, Dept Elect Informat Sci & Technol, Yibin 644000, Peoples R China 3.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China 4.Sichuan Normal Univ, Dept Phys, Chengdu 610066, Peoples R China |
| Recommended Citation GB/T 7714 | Zhou, XL,Bai, YL,Chen, XR,et al. Application of time-dependent density-functional theory to C-6[J]. CHINESE PHYSICS LETTERS,2004,21(2):283-286. |
| APA | Zhou, XL,Bai, YL,Chen, XR,&Yang, XD.(2004).Application of time-dependent density-functional theory to C-6.CHINESE PHYSICS LETTERS,21(2),283-286. |
| MLA | Zhou, XL,et al."Application of time-dependent density-functional theory to C-6".CHINESE PHYSICS LETTERS 21.2(2004):283-286. |
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