6 citations · 6 across the 5 of their papers we have counts for
4 papers · 1 filter
Virial Relations in Density Embedding
Kaili Jiang, Martín A. Mosquera, Yan Oueis +1
The accuracy of charge-transfer excitation energies, solvatochromic shifts and other environmental effects calculated via various density embedding techniques depend critically on…
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…
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…
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…