Time-dependent density functional calculation of e-H scattering.

نویسندگان

  • Meta van Faassen
  • Adam Wasserman
  • Eberhard Engel
  • Fan Zhang
  • Kieron Burke
چکیده

Phase shifts for single-channel elastic electron-atom scattering are derived from time-dependent density functional theory. The H- ion is placed in a spherical box, its discrete spectrum found, and phase shifts deduced. Exact exchange yields an excellent approximation to the ground-state Kohn-Sham potential, while the adiabatic local density approximation yields good singlet and triplet phase shifts.

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عنوان ژورنال:
  • Physical review letters

دوره 99 4  شماره 

صفحات  -

تاریخ انتشار 2007