Extension of the Universal Density Functional to the Domain of Unnormalized Densities

摘要

Since the early 1980's, there have been numerous attempts to generalize the variational density domain of the Hohenberg-Kohn universal density functional to unnormalized densities. Recently, several papers by Lindgren and Salomonson [Phys. Rev. A 67, 056501 (2003); 70, 032509 (2004); and Adv. Quantum Chem. 43, 95 (2003)] and by Gal [Phys. Rev. A 63, 022506 (2001); 64, 062503 (2001); J. Phys. A 35, 5899 (2002)] appeared in the literature. We point out that all such efforts do not agree with some results of density functional theory.