633 citations · 2.3k across the 23 of their papers we have counts for
5 papers · 1 filter
Emerging Oscillating Reactions at the Insulator/Semiconductor Solid/Solid Interface via Proton Implantation
Dechao Meng, Guanghui Zhang, Ming Li +15
Most oscillating reactions (ORs) happen in solutions. Few existing solid-based ORs either happen on solid/gas (e.g., oxidation or corrosion) or solid/liquid interfaces, or at the a…
Direct extraction of excitation energies from ensemble density-functional theory
Zeng-hui Yang, Aurora Pribram-Jones, Kieron Burke +1
A very specific ensemble of ground and excited states is shown to yield an exact formula for any excitation energy as a simple correction to the energy difference between orbitals…
Near-locality of exchange and correlation density functionals for 1- and 2-electron systems
Jianwei Sun, John P. Perdew, Zenghui Yang +1
The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly di…
Excitations and benchmark ensemble density functional theory for two electrons
Aurora Pribram-Jones, Zeng-hui Yang, John R. Trail +3
A new method for extracting ensemble Kohn-Sham potentials from accurate excited state densities is applied to a variety of two electron systems, exploring the behavior of exact ens…
Exact and approximate Kohn-Sham potentials in ensemble density-functional theory
Zeng-hui Yang, John R. Trail, Aurora Pribram-Jones +3
We construct exact Kohn-Sham potentials for the ensemble density-functional theory (EDFT) from the ground and excited states of helium. The exchange-correlation (XC) potential is c…