Application of time-dependent density-functional theory to C-6

IMR OpenIR

	Application of time-dependent density-functional theory to C-6
	Zhou, XL ; Bai, YL ; Chen, XR ; Yang, XD
通讯作者	Chen, XR(xrchen@scu.xicp.net)
	2004-02-01
发表期刊	CHINESE PHYSICS LETTERS
ISSN	0256-307X
卷号	21 期号:2 页码:283-286
摘要	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.
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000189013100019
出版者	IOP PUBLISHING LTD
引用统计	被引频次：5[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/118958
专题	中国科学院金属研究所
通讯作者	Chen, XR
作者单位	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
推荐引用方式 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.