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Numerically stable form factor of any polygon and polyhedron

Authors :
Joachim Wuttke
Source :
Journal of applied crystallography 54(2), 580-587 (2021). doi:10.1107/S1600576721001710, Journal of Applied Crystallography
Publication Year :
2021
Publisher :
Wiley-Blackwell, 2021.

Abstract

Coordinate‐free expressions for the form factors of arbitrary polygons and polyhedra are derived using the divergence theorem and Stokes's theorem. Apparent singularities, all removable, are discussed in detail. Cancellation near the singularities causes a loss of precision that can be avoided by using series expansions. An important application domain is small‐angle scattering by nanocrystals.<br />Coordinate‐free expressions for the form factors of arbitrary polygons and polyhedra are derived using the divergence theorem and Stokes's theorem. Series expansions are used to ensure numeric precision close to apparent singularities. image

Details

Language :
English
Database :
OpenAIRE
Journal :
Journal of applied crystallography 54(2), 580-587 (2021). doi:10.1107/S1600576721001710, Journal of Applied Crystallography
Accession number :
edsair.doi.dedup.....68053c6b61555cc59209d3e646da30fd
Full Text :
https://doi.org/10.1107/S1600576721001710