126 citations · 126 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2019
Chemical Potential of Integer Electron Systems
Kelsie NIffenegger, Yan Oueis, Jonathan Nafziger +1
A truly isolated atom always has an integer number of electrons. If placed in contact with a far-away metallic reservoir, a {\em range} of metallic chemical potentials will lea…
physics.chem-ph2016★ 126 cited
The Importance of being consistent
Adam Wasserman, Jonathan Nafziger, Kaili Jiang +3
We review the role of self-consistency in density functional theory. We apply a recent analysis to both Kohn-Sham and orbital-free DFT, as well as to Partition-DFT, which generaliz…
physics.chem-ph2016
Accurate Reference Data for the Non-Additive Non-Interacting Kinetic Energy in Covalent Bonds
Jonathan Nafziger, Kaili Jiang, Adam Wasserman
The non-additive non-interacting kinetic energy is calculated exactly for fragments of H, Li, Be, C, N, F, and Na within partition density-functional th…