Görling A (1996)
Publication Type: Journal article, Original article
Publication year: 1996
Original Authors: Görling A.
Publisher: American Physical Society
Book Volume: 54
Pages Range: 3912-3915
Journal Issue: 5
URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-3042774866&origin=inward
A Kohn-Sham formalism for the treatment of excited states within the density-functional theory (DFT) is presented DFT exchange and correlation energy functionals for excited states are denned. Explicit expressions for these functionals are derived by generalizing a recent DFT perturbation theory. A computauonal scheme for the treatment of excited states wuhin the DFT is suggested. Differences of Kohn-Sham eigenvalues are shown to be well-defined approximations for excitation energies. Correction terms to these approximations are presented Perturbation theory expansions for band gaps are discussed.
APA:
Görling, A. (1996). Density-functional theory for excited states. Physical Review A, 54(5), 3912-3915.
MLA:
Görling, Andreas. "Density-functional theory for excited states." Physical Review A 54.5 (1996): 3912-3915.
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