Time-dependent local density approximation calculations for absorption spectra of small sulfur clusters
文献类型:期刊论文
作者 | Y. L. Bai ; X. R. Chen ; X. D. Yang ; X. L. Zhou |
刊名 | Journal of Physics B-Atomic Molecular and Optical Physics
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出版日期 | 2003 |
卷号 | 36期号:22页码:4511-4517 |
关键词 | difference-pseudopotential method ab-initio metal-clusters semiconductor clusters lithium clusters silicon clusters ci method spectroscopy excitations germanium |
ISSN号 | 0953-4075 |
中文摘要 | Absorption spectra for small sulfur clusters S-n (n = 2-8) are calculated using an adiabatic time-dependent density-functional formalism within the local density approximation (LDA). We compare the calculated spectra with those calculated using the simple LDA approach. The calculated spectra exhibit a variety of features that can be used for comparison against future experimental investigations. In addition, we also obtain a significant threshold absorption, which can distinguish different ground states of the sulfur clusters. |
原文出处 | |
公开日期 | 2012-04-14 |
源URL | [http://ir.imr.ac.cn/handle/321006/35785] ![]() |
专题 | 金属研究所_中国科学院金属研究所 |
推荐引用方式 GB/T 7714 | Y. L. Bai,X. R. Chen,X. D. Yang,et al. Time-dependent local density approximation calculations for absorption spectra of small sulfur clusters[J]. Journal of Physics B-Atomic Molecular and Optical Physics,2003,36(22):4511-4517. |
APA | Y. L. Bai,X. R. Chen,X. D. Yang,&X. L. Zhou.(2003).Time-dependent local density approximation calculations for absorption spectra of small sulfur clusters.Journal of Physics B-Atomic Molecular and Optical Physics,36(22),4511-4517. |
MLA | Y. L. Bai,et al."Time-dependent local density approximation calculations for absorption spectra of small sulfur clusters".Journal of Physics B-Atomic Molecular and Optical Physics 36.22(2003):4511-4517. |
入库方式: OAI收割
来源:金属研究所
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