956 citations · 6.7k across the 107 of their papers we have counts for
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physics.chem-ph2012★ 19 cited
Ionization potentials and electron affinities from reduced density matrix functional theory
E. N. Zarkadoula, S. Sharma, J. K. Dewhurst +2
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the to…
physics.chem-ph2012★ 19 cited
Effect of discontinuities in Kohn-Sham-based chemical reactivity theory
M. Hellgren, E. K. U. Gross
We provide a new derivation of a formula for the Fukui function of density-functional chemical reactivity theory which incorporates the discontinuities in the Kohn-Sham reference s…