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Computer Algebra calculation of XRMS polarisation dependence in the non spherical case

Thomas A. Wood·Alessandro Mirone
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Abstract

Simple analytical formulae, directly relating the experimental geometry and sample orientation to the measured R(M)XS scattered intensity are very useful to design experiments and analyse data. Such formulae can be obtained by the contraction of an expression containing the polarisations and crystal field tensors, and where the magnetisation vector acts as a rotation derivative\cite{mirone}. The result of a contraction contains a scalar product of (rotated) polarisation vectors and the crystal field axis. The contraction rules give rise to combinatorial algorithms which can be efficiently treated by computers. In this work we provide and discuss a concise Mathematica code along with a few example applications to non-centrosymmetric magnetic systems.

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Thomas A. Wood, Alessandro Mirone. 2006-11-13. Computer Algebra calculation of XRMS polarisation dependence in the non spherical case. https://arxiv.org/abs/cond-mat/0611317

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