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Releases: sylaspg/grasp-continuum

v1.0

22 Jul 13:16
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Initial GRASPC release, allowing for:

  • Calculations of the continuum wave function of electron elastically scattered from atoms and ions, with the model or numerical polarization term
  • Phase shift calculations (with grid control, to ensure correct results)
  • Calculations of electronic scattering lengths using the zero energy wave function
  • Normalization of the calculated continuum orbital

For calculations of the bound states, this release behaves as usual GRASP.