Dr Nikitas Gidopoulos' Outputs (2)

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.

Performance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential (2018)
Journal Article
Pitts, T., Gidopoulos, N., & Lathiotakis, N. (2018). Performance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential. The European Physical Journal B, 91(6), Article 130. https://doi.org/10.1140/epjb/e2018-90123-8

In the constrained minimization method of Gidopoulos and Lathiotakis [N.I. Gidopoulos, N.N. Lathiotakis, J. Chem. Phys. 136, 224109 (2012)], the Hartree exchange and correlation Kohn-Sham potential of a finite N-electron system is replaced by the ele... Read More about Performance of the Constrained Minimization of the Total Energy in Density Functional Approximations: the Electron Repulsion Density and Potential.