633 citations · 2.3k across the 23 of their papers we have counts for
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physics.chem-ph2014★ 72 cited
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…
physics.chem-ph2014★ 77 cited
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…