Continuum states from time-dependent density functional theory |
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Authors: | Wasserman Adam Maitra Neepa T Burke Kieron |
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Institution: | Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA. |
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Abstract: | 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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