Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment

  title={Computation of diffuse scattering arising from one-phonon excitations in a neutron time-of-flight single-crystal Laue diffraction experiment},
  author={Matthias J. Gutmann and Gabriella Graziano and Sanghamitra Mukhopadhyay and Keith Refson and Martin von Zimmerman},
  journal={Journal of Applied Crystallography},
  pages={1122 - 1129}
A methodology is presented to compute diffuse scattering arising from one-phonon excitations in a time-of-flight neutron single-crystal Laue diffraction experiment from density functional theory results. This methodology is illustrated using NaCl as an example. 
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