487 citations · 3.2k across the 72 of their papers we have counts for
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Deviations from piecewise linearity in the solid-state limit with approximate density functionals
Vojtěch Vlček, Helen R. Eisenberg, Gerd Steinle-Neumann +2
In exact density functional theory (DFT) the total ground-state energy is a series of linear segments between integer electron points, a condition known as "piecewise linearity". D…
Curvature and frontier orbital energies in density functional theory
Tamar Stein, Jochen Autschbach, Niranjan Govind +2
Perdew et al. [Phys. Rev. Lett 49, 1691 (1982)] discovered and proved two different properties of exact Kohn-Sham density functional theory (DFT): (i) The exact total energy versus…
Prevalence of the adiabatic exchange-correlation potential approximation in time-dependent density functional theory
Roi Baer
Time-dependent (TD) density functional theory (TDDFT) promises a numerically tractable account of many-body electron dynamics provided good simple approximations are developed for…
On the Mapping of Time-Dependent Densities onto Potentials in Quantum Mechanics
Roi Baer
The mapping of time-dependent densities on potentials in quantum mechanics is critically examined. The issue is of significance ever since Runge and Gross (Phys. Rev. Lett. 52, 997…