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On the prediction of core level binding energies in molecules, surfaces and solids

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Core level binding energies, directly measured by X-ray photoelectron spectroscopy (XPS), provide unique information regarding the chemical environment of atoms in a given system. However, interpretation of XPS in extended systems may not be straightforward and requires assistance from theory. The different state-of-the-art theoretical methods commonly used to approach core level binding energies and their shifts with respect to a given reference are reviewed and critically assessed with special emphasis on recently developed theoretical methods and with a focus on future applications in materials and surface sciences.

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Physical Chemistry Chemical Physics, 2018, vol. 20, num. 13, p. 8403-8410

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Articles publicats en revistes (Ciència dels Materials i Química Física)

# metadata.dc.title[].value
On the prediction of core level binding energies in molecules, surfaces and solids