Görling A, Levy M (1994)
Publication Type: Journal article, Original article
Publication year: 1994
Original Authors: Görling A., Levy M.
Publisher: American Physical Society
Book Volume: 50
Pages Range: 196-204
Journal Issue: 1
An exact formal Kohn-Sham scheme is derived with the help of perturbation theory. Through the introduction of a basis set this Kohn-Sham scheme can be used to perform, in principle, exact Kohn-Sham calculations. As a demonstration, only zeroth- and first-order terms in the underlying perturbation theory are considered. As a result an exact basis set exchange-only method is obtained. The presented perturbation theory expansions of the exchange-correlation energy and potential may serve as a starting point for the development of new approximate exchange-correlation functionals based on Kohn-Sham orbitals and eigenvalues and may be used to check conventional exchange-correlation functionals. The formal structures of the ab initio and the introduced density-functional treatment of electronic systems are compared. © 1994 The American Physical Society.
APA:
Görling, A., & Levy, M. (1994). Exact Kohn-Sham scheme based on perturbation theory. Physical Review A, 50(1), 196-204. https://doi.org/10.1103/PhysRevA.50.196
MLA:
Görling, Andreas, and Mel Levy. "Exact Kohn-Sham scheme based on perturbation theory." Physical Review A 50.1 (1994): 196-204.
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