Ensemble‐Density functional theory for excited states

L. N. Oliveira*, E. K.U. Gross, W. Kohn

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

34 Scopus citations


Fundamental aspects of the ensemble‐density functional approach to the calculation of excited state energies are reviewed. Attention is given to the quasilocal density approximation for the equiensemble exchange‐correlation energy functional. In particular, compared with experimental data, numerical results for the excitation spectrum of the helium atom produce an estimate of the deviations introduced by that approximation.

Original languageAmerican English
Pages (from-to)707-716
Number of pages10
JournalInternational Journal of Quantum Chemistry
Issue number24 S
StatePublished - 1990
Externally publishedYes


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