Ronen Feldman, Martin Charles Golumbic
Ann. Math. Artif. Intell.
In Kohn-Sham density functional theory, equations for occupied orbital functions of a model state are derived from the exact ground-state energy functional of Hohenberg and Kohn. The exchange-correlation potential in these exact Kohn-Sham equations is commonly assumed to be a local potential function rather than a more general linear operator. This assumption is tested and shown to fail for the exchange potential in a Hartree-Fock model for atoms, for which accurate solutions are known.
Ronen Feldman, Martin Charles Golumbic
Ann. Math. Artif. Intell.
Trang H. Tran, Lam Nguyen, et al.
INFORMS 2022
John R. Kender, Rick Kjeldsen
IEEE Transactions on Pattern Analysis and Machine Intelligence
R.A. Brualdi, A.J. Hoffman
Linear Algebra and Its Applications