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Physical 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 PittalisPhysical Review Letters|December 18, 2020
Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation TheoremTim Gould, Gianluca Stefanucci, Stefano PittalisThe 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 PittalisThe Journal of Chemical Physics|August 8, 2016
Locality of correlation in density functional theoryKieron Burke, Antonio Cancio, Tim Gould, et al.Physical 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.Physical Review Letters|March 24, 2023
Electronic Excited States in Extreme Limits via Ensemble Density FunctionalsTim Gould, Derk P Kooi, Paola Gori-Giorgi, et al.Physical Review Letters|July 23, 2021
Ensemble Reduced Density Matrix Functional Theory for Excited States and Hierarchical Generalization of Pauli's Exclusion PrincipleChristian Schilling, Stefano PittalisPageof 8