• 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