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Please use this identifier to cite or link to this item: http://elib.bsu.by/handle/123456789/14539
Title: A new method for calculation of crystal susceptibilities for X-ray diffraction at arbitrary wavelength
Authors: Feranchuk, Ilya D.
Gurskii, L. I.
Komarov, L. I.
Lugovskaya, O. M.
Burgazy, F.
Ulyanenkov, A.
Issue Date: 2002
Publisher: International Union of Crystallography
Citation: Acta Cryst. (2002). A58, 370–384
Abstract: A novel method for the calculation of the X-ray susceptibility of a crystal in a wide range of radiation wavelengths is described. An analytical interpolation of one-electron wave functions is built to approximate the solution to Hartree± Fock equations for all atoms and ions of the periodic system of elements with high accuracy. These functions allow the calculation of the atomic form factors in the entire range of a transmitted momentum as well as the description of their anisotropy taking into account external and intracrystalline ®elds. Also, an analytical approximation for the force matrix of an arbitrary crystal is obtained and the microscopic calculation of the Debye±Waller factor for crystals with a complicated unit cell is presented.
URI: http://elib.bsu.by/handle/123456789/14539
Appears in Collections:Кафедра теоретической физики и астрофизики

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