12k citations · 33.8k across the 125 of their papers we have counts for
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cond-mat.other2008★ 15 cited
Charge Transfer in Partition Theory
Morrel H. Cohen, Adam Wasserman, Roberto Car +1
The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that…
physics.atm-clus2008★ 72 cited
Exact condition on the Kohn-Sham kinetic energy, and modern parametrization of the Thomas-Fermi density
Donghyung Lee, Kieron Burke, Lucian A. Constantin +1
We study the asymptotic expansion of the neutral-atom energy as the atomic number Z goes to infinity, presenting a new method to extract the coefficients from oscillating numerical…