2 papers
physics.chem-ph2020
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…
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…