2 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…
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…