Time-dependent density functional theory within the Tamm-Dancoff approximation

So Hirata, Martin Head-Gordon

Research output: Contribution to journalArticlepeer-review


A computationally simple method for molecular excited states, namely, the Tamm-Dancoff approximation to time-dependent density functional theory, is proposed and implemented. This method yields excitation energies for several closed- and open-shell molecules that are essentially of the same quality as those obtained from time-dependent density functional theory itself, when the same exchange-correlation functional is used.

Original languageEnglish (US)
Pages (from-to)291-299
Number of pages9
JournalChemical Physics Letters
Issue number3-4
StatePublished - Dec 3 1999
Externally publishedYes

ASJC Scopus subject areas

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


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