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Program for calculating the scattering parameters used in the X-ray standing wave method


A computer program for calculating the complex kinematic scattering parameters χ0, χh, and \(\chi _{\bar h} \) of X rays, which are Fourier components of the crystal complex susceptibility, as well as some of their combinations, is presented. The values calculated by the program can be used for computer simulation of experimental results obtained by the X-ray standing-wave method. Methods for calculating these parameters on the basis of well-known tables are described in detail. For crystals of complex structure, it is necessary to know their structure and the Debye temperature or specific heat capacity in order to calculate χh and \(\chi _{\bar h} \). To calculate χ0, it is sufficient to know the chemical formula and the density of a material.

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Dedicated to the 50th Anniversary of the Journal

Original Russian Text © V.G. Kohn, 2006, published in Kristallografiya, 2006, Vol. 51, No. 6, pp. 1001–1005.

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Kohn, V.G. Program for calculating the scattering parameters used in the X-ray standing wave method. Crystallogr. Rep. 51, 936–940 (2006).

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PACS numbers

  • 68.49.Uv