3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mtrl-sci2023
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…
cond-mat.mtrl-sci2023★ 7 cited
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…