168 citations · 934 across the 37 of their papers we have counts for
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physics.chem-ph2018★ 6 cited
Exact partition potential for model systems of interacting electrons in 1-D
Yan Oueis, Adam Wasserman
We find the numerically exact partition potential for 1-D systems of interacting electrons designed to model diatomic molecules. At integer fragment occupations, the kinetic contri…
physics.chem-ph2018
Partition potential for hydrogen-bonding in formic acid dimers
Sara Gómez, Yan Oueis, Albeiro Restrepo +1
The ground-state energy and density of four low-energy conformations of the formic acid dimer were calculated via Partition Density Functional Theory (PDFT). The differences betwee…
physics.chem-ph2018★ 17 cited
Constructing a Non-additive Non-interacting Kinetic Energy Functional Approximation for Covalent Bonds from Exact Conditions
Kaili Jiang, Jonathan Nafziger, Adam Wasserman
We present a non-decomposable approximation for the non-additive non-interacting kinetic energy (NAKE) for covalent bonds based on the exact behavior of the von Weizsäcker (vW) fun…