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The 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.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|March 9, 2021
Ensemble generalized Kohn-Sham theory: The good, the bad, and the uglyTim Gould, Leeor KronikJournal 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 GouldPhysical Review Letters|December 30, 2017
Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness DisasterTim Gould, Stefano PittalisPhysical Review Letters|August 7, 2019
Density-Driven Correlations in Many-Electron Ensembles: Theory and Application for Excited StatesTim Gould, Stefano PittalisThe 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 Review Letters|December 18, 2020
Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation TheoremTim Gould, Gianluca Stefanucci, Stefano PittalisPageof 20