Optimal power series expansions of the Kohn-Sham potential
(2018)
Journal Article
Callow, T. J., & Gidopoulos, N. I. (2018). Optimal power series expansions of the Kohn-Sham potential. The European Physical Journal B, 91(10), Article 209. https://doi.org/10.1140/epjb/e2018-90189-2
A fundamental weakness of density functional theory (DFT) is the difficulty in making systematic improvements to approximations for the exchange and correlation functionals. In this paper, we follow a wave-function-based approach [N.I. Gidopoulos, Ph... Read More about Optimal power series expansions of the Kohn-Sham potential.