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ABSTRACT: This chapter describes the interaction of Xrays, unpolarized and polarized neutrons with the charge and spin densities of
a periodic system. The methods developed for analysis of the electron densities from the diffraction intensities are described
in detail and the concepts used in the interpretation of the results are defined. This chapter is also available as HTML from the International Tables Online site hosted by the IUCr. 12/2003: pages 713734;

Edited by A. J. C. Wilson and E. Prince, 01/1999: chapter Analysis of charge and spin densities,: pages 706727; Kluwer Academic Publishers, Doderecht / Boston / London.

Acta crystallographica. Section A, Foundations of crystallography 01/1998; 54(3):357357. · 2.07 Impact Factor

Acta crystallographica. Section A, Foundations of crystallography 01/1996; 52(5):748756. · 2.07 Impact Factor

Acta Crystallographica Section A Foundations of Crystallography 01/1995; 51(1):2732. · 2.07 Impact Factor

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ABSTRACT: Formulae for the rotation of real spherical harmonic functions are presented. To facilitate their application, values of the matrices d m ' m (l) (π/2), which occur in the equations, are tabulated for 1≤l≤8 and 0≤m ' , m≤l. The application of the equations to spherical harmonic functions with the normalization commonly used in chargedensity analysis is described. Acta crystallographica. Section A, Foundations of crystallography 09/1994; 50(5). · 2.07 Impact Factor

Acta crystallographica. Section A, Foundations of crystallography 05/1994; 50(3):408409. · 2.07 Impact Factor

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ABSTRACT: A method for efficiently evaluating integrals of the type AN, l1, l2, k(Z, R) = ×jl2(SR)Sk dS is discussed and closedform expressions for those integrals useful in the calculation of the electrostatic potential, the electric field and the electric field gradient are given. Journal of Applied Crystallography 02/1994; 27(1):8991. · 3.95 Impact Factor

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ABSTRACT: A method is presented to calculate the electrostatic potential, the electric field and the electricfield gradient in a crystal from the atomic multipole expansion of the experimental charge density, as described by the HansenCoppens formalism [Hansen & Coppens (1978), Acta Cryst. A34, 909921]. The electrostatic properties are expressed in terms of the positions and the chargedensity parameters of the individual atoms. Contributions due to the procrystal charge density and the deformation charge density are compared. The method is illustrated by the calculation of the electrostatic potential maps of fully deuterated benzene and of iron(II) tetraphenylporphyrin. Acta Crystallographica Section A Foundations of Crystallography 03/1992; 48 ( Pt 2):18897. · 2.07 Impact Factor

Acta Crystallographica Section C Crystal Structure Communications 01/1991; 47(2):279282. · 0.54 Impact Factor

Journal of Applied Crystallography 01/1990; 23(1):7173. · 3.95 Impact Factor