Refinement of X‐ray and electron diffraction crystal structures using analytical Fourier transforms of Slater‐type atomic wavefunctions in Olex2
(2024)
Journal Article
Kleemiss, F., Peyerimhoff, N., & Bodensteiner, M. (2024). Refinement of X‐ray and electron diffraction crystal structures using analytical Fourier transforms of Slater‐type atomic wavefunctions in Olex2. Journal of Applied Crystallography, 57, 161-174. https://doi.org/10.1107/s1600576723010981
An implementation of Slater‐type spherical scattering factors for X‐ray and electron diffraction for elements in the range Z = 1–103 is presented within the software Olex2. Both high‐ and low‐angle Fourier behaviour of atomic electron density and ele... Read More about Refinement of X‐ray and electron diffraction crystal structures using analytical Fourier transforms of Slater‐type atomic wavefunctions in Olex2.