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Modification of X-ray atomic scattering factors in electic fields – validation of the shell model (1984)

Matthew, J. A. D. ; Yousif, S. Y.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 40 (1984), S. 716-721

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: Quantum-mechanical calculations of the modification of the X-ray scattering factor of an atom/ion in an electric field are compared with predictions of the semi-classical shell model. If the shell parameters are fitted to the dipole polarizability of the ion, the shell model is a very good representation of the scattering factor of the deformed ion, giving support to its use in estimating the effect of ionic deformation on X-ray diffuse scattering and X-ray Debye-Waller factors.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S0108767384001483

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