Browsing by Sponsor "Royal Irish Academy (RIA)"
Now showing items 1-1 of 1
A self-contained ground-state approach for the correction of self-interaction error in approximate density-functional theory (Trinity College Dublin. School of Physics. Discipline of Physics, 2018)Density functional theory (DFT), in its approximate Kohn-Sham formalism, is a highly-acclaimed computational tool that affords the practical and expeditious calculation of ground-state properties of molecules and solids, ...