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The Journal of Chemical Physics|May 17, 2014
Fundamental gaps with approximate density functionals: the derivative discontinuity revealed from ensemble considerationsEli Kraisler, Leeor KronikPhysical Review Letters|August 29, 2014
Piecewise linearity of approximate density functionals revisited: implications for frontier orbital energiesEli Kraisler, Leeor KronikPhysical 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.The Journal of Chemical Physics|September 17, 2015
Effect of ensemble generalization on the highest-occupied Kohn-Sham eigenvalueEli Kraisler, Tobias Schmidt, Stephan Kümmel, et al.Physical Chemistry Chemical Physics : PCCP|September 7, 2019
Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theoryTim Gould, Stefano Pittalis, Julien Toulouse, et al.The Journal of Chemical Physics|May 17, 2014
A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvaluesTobias Schmidt, Eli Kraisler, Adi Makmal, et al.Journal of Chemical Theory and Computation|December 16, 2024
How the Piecewise-Linearity Requirement for the Density Affects Quantities in the Kohn-Sham SystemEli KraislerChemistry (Weinheim an Der Bergstrasse, Germany)|October 7, 2017
Spin-State Energetics of Fe Complexes from an Optimally Tuned Range-Separated Hybrid FunctionalGeorgia Prokopiou, Leeor KronikPhysical Chemistry Chemical Physics : PCCP|July 15, 2020
Piecewise linearity, freedom from self-interaction, and a Coulomb asymptotic potential: three related yet inequivalent properties of the exact density functionalLeeor Kronik, Stephan KümmelTopics in Current Chemistry|April 25, 2014
Gas-phase valence-electron photoemission spectroscopy using density functional theoryLeeor Kronik, Stephan KümmelPageof 15