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Application of time-dependent density-functional theory to C-6
Zhou, XL; Bai, YL; Chen, XR; Yang, XD
Corresponding AuthorChen, XR(xrchen@scu.xicp.net)
2004-02-01
Source PublicationCHINESE PHYSICS LETTERS
ISSN0256-307X
Volume21Issue:2Pages:283-286
AbstractWe 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 BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000189013100019
PublisherIOP PUBLISHING LTD
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/118958
Collection中国科学院金属研究所
Corresponding AuthorChen, XR
Affiliation1.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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