Adam Wasserman

activity

20042025

most citedPartition Density Functional Theory

168 citations · 934 across the 37 of their papers we have counts for

collaborators

Showing 2016 · physics.chem-phShow all

3 papers · 2 filters

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 $C_{s}$ -character to $C_{2 h}$ -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 $_{2}$ , Li $_{2}$ , Be $_{2}$ , C $_{2}$ , N $_{2}$ , F $_{2}$ , and Na $_{2}$ within partition density-functional th…