126 citations · 272 across the 9 of their papers we have counts for
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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★ 25 cited
Partition-DFT on the Water Dimer
Sara Gómez, Jonathan Nafziger, Albeiro Restrepo +1
As is well known, the ground-state symmetry group of the water dimer switches from its equilibrium -character to -character as the distance between the two oxygen at…
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…