Correlation expansion: a powerful alternative multiple scattering calculation method

	Correlation expansion: a powerful alternative multiple scattering calculation method
	Zhao HF(赵海峰); Wu ZY(吴自玉); Zhao, HF; Sebilleau, D; Wu, ZY
刊名	JOURNAL OF PHYSICS-CONDENSED MATTER
	2008
卷号	20 期号:27 页码:275241
通讯作者	[Zhao, Haifeng ; Wu, Ziyu] Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China ; [Zhao, Haifeng ; Sebilleau, Didier] Univ Rennes 1, Equipe Phys Surfaces & Interfaces, Inst Phys Rennes, CNRS,UR1 UMR 6251, F-35042 Rennes, France ; [Wu, Ziyu] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China ; [Wu, Ziyu] Univ Sci & Technol China, Natl Synchrotron Radiat Lab, Hefei 230026, Peoples R China
英文摘要	We introduce a powerful alternative expansion method to perform multiple scattering calculations. In contrast to standard MS series expansion, where the scattering contributions are grouped in terms of scattering order and may diverge in the low energy region, this expansion, called correlation expansion, partitions the scattering process into contributions from different small atom groups and converges at all energies. It converges faster than MS series expansion when the latter is convergent. Furthermore, it takes less memory than the full MS method so it can be used in the near edge region without any divergence problem, even for large clusters. The correlation expansion framework we derive here is very general and can serve to calculate all the elements of the scattering path operator matrix. Photoelectron diffraction calculations in a cluster containing 23 atoms are presented to test the method and compare it to full MS and standard MS series expansion.
学科主题	Physics
类目[WOS]	Physics, Condensed Matter
研究领域[WOS]	Physics
原文出处	SCI
语种	英语
WOS记录号	WOS:000257178300043
内容类型	期刊论文
源URL	[http://ir.ihep.ac.cn/handle/311005/241057]
专题	高能物理研究所_多学科研究中心
作者单位	中国科学院高能物理研究所
推荐引用方式 GB/T 7714	Zhao HF,Wu ZY,Zhao, HF,et al. Correlation expansion: a powerful alternative multiple scattering calculation method[J]. JOURNAL OF PHYSICS-CONDENSED MATTER,2008,20(27):275241.
APA	赵海峰,吴自玉,Zhao, HF,Sebilleau, D,&Wu, ZY.(2008).Correlation expansion: a powerful alternative multiple scattering calculation method.JOURNAL OF PHYSICS-CONDENSED MATTER,20(27),275241.
MLA	赵海峰,et al."Correlation expansion: a powerful alternative multiple scattering calculation method".JOURNAL OF PHYSICS-CONDENSED MATTER 20.27(2008):275241.