158 citations · 188 across the 7 of their papers we have counts for
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physics.chem-ph2024
Spin migration in density functional theory: energy, potential and density perspectives
Alon Hayman, Eli Kraisler, Tamar Stein
Spin is a fundamental property of any many-electron system. The ability of density functional theory to accurately predict the physical properties of a system, while varying its sp…
physics.chem-ph2021
Charge-transfer steps in Density Functional Theory from the perspective of the Exact Electron Factorization
Jakub Kocák, Eli Kraisler, Axel Schild
When a molecule dissociates, the exact Kohn-Sham (KS) and Pauli potentials may form step structures. Reproducing these steps correctly is central for the description of dissociatio…
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)…