A.R. Conn, Nick Gould, et al.
Mathematics of Computation
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.
A.R. Conn, Nick Gould, et al.
Mathematics of Computation
Heinz Koeppl, Marc Hafner, et al.
BMC Bioinformatics
Tjet Sun, R.K. Nesbet
Physical Review B
Hang-Yip Liu, Steffen Schulze, et al.
Proceedings of SPIE - The International Society for Optical Engineering