most citedFractional occupation in Kohn-Sham density-functional theory and the treatment of non-pure-state v-representable densities

22 citations · 44 across the 3 of their papers we have counts for

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physics.chem-ph2010★ 22 cited

Ensemble v-representable ab-initio density functional calculation of energy and spin in atoms: atest of exchange-correlation approximations

Eli Kraisler, Guy Makov, Itzhak Kelson

The total energies and the spin states for atoms and their first ions with Z = 1-86 are calculated within the the local spin-density approximation (LSDA) and the generalized-gradie…

physics.chem-ph2010★ 22 cited

Fractional occupation in Kohn-Sham density-functional theory and the treatment of non-pure-state v-representable densities

Eli Kraisler, Guy Makov, Nathan Argaman +1

In the framework of Kohn-Sham density-functional theory, systems with ground-state densities that are not pure-state v-representable in the non-interacting reference system (PSVR)…