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20112022
most citedOn derivatives of the energy with respect to total electron number and orbital occupation numbers. A critique of Janak's theorem

28 citations · 59 across the 7 of their papers we have counts for

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physics.chem-ph2011

Asymptotic behavior of the electron density and the Kohn-Sham potential in case of a Kohn-Sham HOMO nodal plane

P. Gori-Giorgi, T. Gál, E. J. Baerends

It is known that the asymptotic decay of the electron density $n(\br)$ outside a molecule is informative about its first ionization potential , $n(|\br|\to\infty) \sim \text{e…