158 citations · 614 across the 19 of their papers we have counts for
22 papers
Many-electron systems with fractional electron number and spin: exact properties above and below the equilibrium total spin value
Yuli Goshen, Eli Kraisler
In this work, we analyze the fundamental question of what is the ensemble ground state of a general, finite, many-electron system at zero temperature, with a given, possibly fracti…
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…
Energy of a many-electron system in an ensemble ground-state, versus electron number and spin: piecewise-linearity and flat plane condition generalized
Yuli Goshen, Eli Kraisler
Description of many-electron systems with a fractional electron number and fractional spin is of great importance in physical chemistry, solid sta…
Physics-enhanced neural networks for equation-of-state calculations
Timothy J. Callow, Jan Nikl, Eli Kraisler +1
Rapid access to accurate equation-of-state (EOS) data is crucial in the warm-dense matter regime, as it is employed in various applications, such as providing input for hydrodynami…
Ionization Potentials and Fundamental Gaps in Atomic Systems from the Ensemble-DFT Approach
Sharon Lavie, Yuli Goshen, Eli Kraisler
Calculations in Kohn-Sham density functional theory crucially rely on high-quality approximations for the exchange-correlation (xc) functional. Standard local and semi-local approx…
atoMEC: An open-source average-atom Python code
Timothy J. Callow, Daniel Kotik, Eli Kraisler +1
Average-atom models are an important tool in studying matter under extreme conditions, such as those conditions experienced in planetary cores, brown and white dwarfs, and during i…