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• W2042023742 abstract "There has been dramatic progress over the past decade both in theory and in ab initio calculations of X-ray absorption spectra (XAS) and core level X-ray photoemission spectroscopy (XPS). The theory of X-ray absorption fine structure (XAFS) is now reasonably well understood, and rapid progress is now being made in understanding X-ray absorption near-edge structure (XANES). This talk reviews the developments in this field by many groups leading up to the current state. These developments have led to several ab initio codes which permit a quantitative interpretation of the spectra in terms of geometrical and electronic properties of a material. High-order multiple scattering (MS) theory can give an approximate treatment of XANES, but this approach can fail close to an edge, where full MS calculations are often necessary. Nevertheless a fully quantitative treatment of XANES remains challenging, due to a number of many-body effects, e.g. the approximate treatment of the core-hole, multiplet effects, the photoelectron self energy, and inelastic losses. Essentially the same underlying theory has been applied to a number of other spectroscopies such as XPS, anomalous X-ray scattering (AXS), DAFS (diffraction anomalous fine structure) and XMCD (X-ray magnetic circular dichroism). These developments are illustrated with a number of applications." @default.
• W2042023742 created "2016-06-24" @default.
• W2042023742 creator A5064326466 @default.
• W2042023742 creator A5070251002 @default.
• W2042023742 date "2001-03-01" @default.
• W2042023742 modified "2023-09-23" @default.
• W2042023742 title "New developments in the theory of X-ray absorption and core photoemission" @default.
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• W2042023742 doi "https://doi.org/10.1016/s0368-2048(00)00341-8" @default.
• W2042023742 hasPublicationYear "2001" @default.
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