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Title
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MsSpec-1.0 : a multiple scattering package for electron spectroscopies in material science
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Author
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Abstract
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| 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. |
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Language
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English
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Source (journal)
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Computer physics communications. - Amsterdam
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Publication
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Amsterdam
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2011
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ISSN
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0010-4655
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DOI
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10.1016/J.CPC.2011.07.012
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Volume/pages
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182
:12
(2011)
, p. 2567-2579
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ISI
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000295769700014
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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