Continuum states from time-dependent density functional theory.

نویسندگان

  • Adam Wasserman
  • Neepa T Maitra
  • Kieron Burke
چکیده

Linear response time-dependent density functional theory is used to study low-lying electronic continuum states of targets that can bind an extra electron. Exact formulas to extract scattering amplitudes from the susceptibility are derived in one dimension. A single-pole approximation for scattering phase shifts in three dimensions is shown to be more accurate than static exchange for singlet electron-He(+) scattering.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 122 14  شماره 

صفحات  -

تاریخ انتشار 2005