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physics.chem-ph2023
Effective local potentials for density and density-matrix functional approximations with non-negative screening density
Thomas C. Pitts, Sofia Bousiadi, Nikitas I. Gidopoulos +1
A way to improve the accuracy of the spectral properties in density functional theory (DFT) is to impose constraints on the effective, Kohn-Sham (KS), local potential [J. Chem. Phy…
physics.chem-ph2017★ 4 cited
Asymmetric adsorption in an open electrolytic cell
S. Bousiadi, I. Lelidis
We investigate the effect of adsorption-desorption phenomenon of ions in an asymmetric electrolytic cell at open circuit conditions. Our approach is based on the Poisson-Nernst-Pla…