Title of article :
Position and momentum densities. Complementarity at work: refining a quantum model from different data sets Original Research Article
Author/Authors :
Jean-Michel Gillet، نويسنده , , Pierre J. Becker، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Pages :
7
From page :
2017
To page :
2023
Abstract :
Although Bragg and Compton scattering are well-established techniques, only very few attempts to simultaneously combine information originating from these two experiments have been made so far. This remark also holds for Bragg neutron magnetic combined with X-ray scattering. We propose a quite general procedure to refine a quantum model from different data sets using basic Bayesian probability theory. As an illustration, a qualitative preliminary study to extract chemical information such as charge transfer in ionic-covalent compounds is reported.
Keywords :
C. ab initio calculations , C. X-ray diffraction , D. Electronic structure
Journal title :
Journal of Physics and Chemistry of Solids
Serial Year :
2004
Journal title :
Journal of Physics and Chemistry of Solids
Record number :
1308793
Link To Document :
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