International
Tables for
Crystallography
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

International Tables for Crystallography (2006). Vol. C, ch. 8.7, p. 731

Section 8.7.4.6.2. Beyond the dipolar approximation

P. Coppens,a Z. Sub and P. J. Beckerc

a732 NSM Building, Department of Chemistry, State University of New York at Buffalo, Buffalo, NY 14260-3000, USA,bDigital Equipment Co., 129 Parker Street, PKO1/C22, Maynard, MA 01754-2122, USA, and cEcole Centrale Paris, Centre de Recherche, Grand Voie des Vignes, F-92295 Châtenay Malabry CEDEX, France

8.7.4.6.2. Beyond the dipolar approximation

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Expressions (8.7.4.74)[link] and (8.7.4.78)[link] are valid in any situation where orbital scattering occurs. They can in principle be used to estimate from the diffraction experiment the contribution of a few configurations that interact due to the [{\bf L}\cdot{\bf S}] operator. In delocalized situations, (8.7.4.74)[link] is the most suitable approach, while Racah's algebra can only be applied to one-centre cases.








































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