Continuum states from time-dependent density functional theory

Adam Wasserman, Neepa T. Maitra, Kieron Burke

Research output: Contribution to journalArticlepeer-review

16 Scopus citations

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.

Original languageEnglish (US)
Article number144103
JournalJournal of Chemical Physics
Volume122
Issue number14
DOIs
StatePublished - 2005
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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