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Journal of Chemical Theory and Computation|December 16, 2024
How the Piecewise-Linearity Requirement for the Density Affects Quantities in the Kohn-Sham SystemEli KraislerThe Journal of Chemical Physics|May 17, 2014
Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerationsEli Kraisler, Leeor KronikThe Journal of Physical Chemistry Letters|February 22, 2024
Ensemble Ground State of a Many-Electron System with Fractional Electron Number and Spin: Piecewise-Linearity and Flat-Plane Condition GeneralizedYuli Goshen, Eli KraislerPhysical Review Letters|August 29, 2014
Piecewise linearity of approximate density functionals revisited: implications for frontier orbital energiesEli Kraisler, Leeor KronikThe Journal of Chemical Physics|March 11, 2026
Many-electron systems with fractional electron number and spin: Exact properties above and below the equilibrium total spin valueYuli Goshen, Eli KraislerJournal of Chemical Theory and Computation|March 27, 2025
Plateaus in the Potentials of Density-Functional Theory: Analytical Derivation and Useful ApproximationsNathan E Rahat, Eli KraislerThe Journal of Physical Chemistry Letters|March 24, 2021
Charge-Transfer Steps in Density Functional Theory from the Perspective of the Exact Electron FactorizationJakub Kocák, Eli Kraisler, Axel SchildACS Nano|December 15, 2012
Rethinking transition voltage spectroscopy within a generic Taylor expansion viewAyelet Vilan, David Cahen, Eli KraislerThe Journal of Chemical Physics|April 24, 2023
Ionization potentials and fundamental gaps in atomic systems from the Ensemble-DFT approachSharon Lavie, Yuli Goshen, Eli KraislerPhysical Chemistry Chemical Physics : PCCP|March 13, 2014
One-electron self-interaction and the asymptotics of the Kohn-Sham potential: an impaired relationTobias Schmidt, Eli Kraisler, Leeor Kronik, et al.Pageof 2