29 citations · 147 across the 11 of their papers we have counts for
3 papers · 1 filter
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…
On the relation between the microscopic structure and the sound velocity anomaly in elemental melts of groups IV, V, VI
Yaron Greenberg, Eyal Yahel, El'ad N. Caspi +3
The sound velocity of some liquid elements of groups IV, V and VI, as reported in the literature, displays anomalous features that set them apart from other liquid metals. In an ef…
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)…