Görling A (1999)
Publication Type: Journal article, Original article
Publication year: 1999
Original Authors: Görling A.
Publisher: American Physical Society
Book Volume: 59
Pages Range: 3359-3374
Journal Issue: 5
URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-0038235632&origin=inward
A density-functional theory that treats all states of an electronic system on the same footing is introduced. The corresponding Kohn-Sham formalism can be applied to ground and excited states alike, does not suffer from a υ-representability problem, and represents a rigorous formal basis for the common, but so far unjustified practice to treat excited states by Kohn-Sham methods. The presented density-functional theory emerges from a generalization of the constrained-search procedure. The new Kohn-Sham formalism is based on generalized adiabatic connections introduced here. The possible topologies of those generalized adiabatic connections are discussed. A density-based stationarity principle and a density theorem that represents a more general counterpart of the Hohenberg-Kohn theorem are presented. A method to take into account exactly exchange interactions in the presented Kohn-Sham formalism is introduced, implemented, and applied to atoms. ©1999 The American Physical Society.
APA:
Görling, A. (1999). Density-functional theory beyond the Hohenberg-Kohn theorem. Physical Review A, 59(5), 3359-3374.
MLA:
Görling, Andreas. "Density-functional theory beyond the Hohenberg-Kohn theorem." Physical Review A 59.5 (1999): 3359-3374.
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