Double excitations within time-dependent density functional theory linear response

Neepa T. Maitra, Fan Zhang, Robert J. Cave, Kieron Burke

Research output: Contribution to journalReview article

329 Scopus citations

Abstract

Double excitations within time-dependent density functional theory linear response were described. The one-to-one mapping between densities and potentials produced a Kohn-Sham (KS) system of noninteracting electrons. The linear response equations were solved using an adiabatic kernel method. The results provide accurate approximations to states of double excitation character.

Original languageEnglish (US)
Pages (from-to)5932-5937
Number of pages6
JournalJournal of Chemical Physics
Volume120
Issue number13
DOIs
StatePublished - Apr 1 2004
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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