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Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 17, 2024
Perturbative ensemble density functional theory applied to charge transfer excitationsGil S Amoyal, Leeor Kronik, Tim GouldThe Journal of Chemical Physics|March 9, 2021
Ensemble generalized Kohn-Sham theory: The good, the bad, and the uglyTim Gould, Leeor KronikThe Journal of Chemical Physics|May 10, 2018
Charge transfer excitations from exact and approximate ensemble Kohn-Sham theoryTim Gould, Leeor Kronik, Stefano PittalisThe Journal of Chemical Physics|January 30, 2026
"Ensemblization" of density functional theoryTim Gould, Leeor Kronik, Stefano PittalisPhysical Review Letters|June 23, 2025
State-Specific Density Functionals for Excited States via a Density-Driven Correlation ModelTim Gould, Stephen G Dale, Leeor Kronik, et al.The Journal of Physical Chemistry Letters|March 10, 2022
Single Excitation Energies Obtained from the Ensemble "HOMO-LUMO Gap": Exact Results and ApproximationsTim Gould, Zahed Hashimi, Leeor Kronik, 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.Journal of Chemical Theory and Computation|August 13, 2024
Nonempirical Prediction of the Length-Dependent Ionization Potential in Molecular ChainsGuy Ohad, Michal Hartstein, Tim Gould, et al.Physical Review Letters|January 30, 2026
Foundations of the Ionization Potential Condition for Localized Electron Removal in Density Functional TheoryGuy Ohad, María Camarasa-Gómez, Jeffrey B Neaton, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 7, 2017
Spin-State Energetics of Fe Complexes from an Optimally Tuned Range-Separated Hybrid FunctionalGeorgia Prokopiou, Leeor KronikPageof 19