Msspec-1.0: a multiple scattering package for electron spectroscopies in material science
文献类型：期刊论文
| 作者 | Sebilleau, Didier1; Natoli, Calogero2,3; Gavaza, George M.4; Zhao, Haifeng5; Da Pieve, Fabiana6; Hatada, Keisuke3 |
| 刊名 | Computer physics communications
 |
| 出版日期 | 2011-12-01 |
| 卷号 | 182期号:12页码:2567-2579 |
| 关键词 | Spectroscopies Multiple scattering Cross-sections |
| ISSN号 | 0010-4655 |
| DOI | 10.1016/j.cpc.2011.07.012 |
| 通讯作者 | Sebilleau, didier(didier.sebilleau@univ-rennes1.fr) |
| 英文摘要 | We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (ped), auger electron diffraction (aed), x-ray absorption (xas), low-energy electron diffraction (leed) and auger photoelectron coincidence spectroscopy (apecs). this package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. in the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. numerous other small fortran codes or bash/csh shell scripts are also provided to perform specific tasks. the cross-section code is built by the user from a library of subroutines using a makefile. program summary program title: msspec-1.0 catalogue identifier: aejt_v1_0 program summary url: http://cpc.cs.qub.ac.uk/summaries/aejt_v1_0.html program obtainable from: cpc program library, queen's university, belfast, n. ireland licensing provisions: standard cpc licence, http://cpc.cs.qub.ac.uk/licence/licence.html no. of lines in distributed program, including test data, etc.: 504 438 no. of bytes in distributed program, including test data, etc.: 14 448 180 distribution format: tar.gz programming language: fortran 77 computer: any operating system: linux, macos ram: bytes classification: 7.2 external routines: lapack (http://www.netlib.org/lapack/) nature of problem: calculation of the cross-section of various spectroscopies. solution method: multiple scattering. running time: the test runs provided only take a few seconds to run. (c) 2011 elsevier b.v. all rights reserved. |
| WOS关键词 | PHOTOELECTRON ; DIFFRACTION |
| WOS研究方向 | Computer Science ; Physics |
| WOS类目 | Computer Science, Interdisciplinary Applications ; Physics, Mathematical |
| 语种 | 英语 |
| WOS记录号 | WOS:000295769700014 |
| 出版者 | ELSEVIER SCIENCE BV |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2176189 |
| 专题 | 高能物理研究所 |
| 通讯作者 | Sebilleau, Didier |
| 作者单位 | 1.Univ Rennes 1, Inst Phys Rennes, UMR UR1, CNRS 6251, F-35042 Rennes, France 2.Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain 3.Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy 4.Inst High Performance Comp, Singapore 138632, Singapore 5.Chinese Acad Sci, Inst High Energy Phys, Beijing Synchrotron Radiat Facil, Beijing 100049, Peoples R China 6.Univ Antwerp, EMAT, B-2020 Antwerp, Belgium |
| 推荐引用方式 GB/T 7714 | Sebilleau, Didier,Natoli, Calogero,Gavaza, George M.,et al. Msspec-1.0: a multiple scattering package for electron spectroscopies in material science[J]. Computer physics communications,2011,182(12):2567-2579. |
| APA | Sebilleau, Didier,Natoli, Calogero,Gavaza, George M.,Zhao, Haifeng,Da Pieve, Fabiana,&Hatada, Keisuke.(2011).Msspec-1.0: a multiple scattering package for electron spectroscopies in material science.Computer physics communications,182(12),2567-2579. |
| MLA | Sebilleau, Didier,et al."Msspec-1.0: a multiple scattering package for electron spectroscopies in material science".Computer physics communications 182.12(2011):2567-2579. |
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