کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9763773 1498854 2005 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Progress in the theory and interpretation of XANES
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی معدنی
پیش نمایش صفحه اول مقاله
Progress in the theory and interpretation of XANES
چکیده انگلیسی
There has been substantial progress in recent years, both in the theory and in ab initio codes for calculations of X-ray absorption spectra (XAS), and in particular, the near edge structure (XANES). This progress is a sequel to the successful development of the theory and interpretation of extended X-ray absorption fine structure (EXAFS). Here, we review the progress in this field leading up to the current state. We focus on the real-space multiple scattering (RSMS) approach which gives a unified treatment of both EXAFS and XANES, as well as many other spectroscopies. We also discuss the close connection between RSMS theory and excited state electronic structure, and in particular, corrections to the independent particle approximation which are essential in a quantitative theory. These developments have led to a number ab initio codes for the calculation and interpretation of XAS in terms of the electronic structure and coordination chemistry of materials.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Coordination Chemistry Reviews - Volume 249, Issues 1–2, January 2005, Pages 131-140
نویسندگان
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