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Journal of Chemical Theory and Computation|August 21, 2019
Strong Correlation and Charge Localization in Kohn-Sham Theories with Fractional Orbital OccupationsMaria Hellgren, Tim GouldThe Journal of Chemical Physics|September 3, 2016
How polarizabilities and C6 coefficients actually vary with atomic volumeTim GouldJournal of Chemical Theory and Computation|May 12, 2017
What Makes a Density Functional Approximation Good? Insights from the Left Fukui FunctionTim GouldThe Journal of Physical Chemistry Letters|November 10, 2020
Approximately Self-Consistent Ensemble Density Functional Theory: Toward Inclusion of All CorrelationsTim GouldThe Journal of Chemical Physics|February 15, 2023
Toward routine Kohn-Sham inversion using the "Lieb-response" approachTim GouldThe Journal of Chemical Physics|November 29, 2023
A step toward density benchmarking-The energy-relevant "mean field error"Tim GouldThe Journal of Chemical Physics|September 25, 2012
Communication: Beyond the random phase approximation on the cheap: improved correlation energies with the efficient "radial exchange hole" kernelTim GouldPhysical Chemistry Chemical Physics : PCCP|November 3, 2018
'Diet GMTKN55' offers accelerated benchmarking through a representative subset approachTim GouldThe Journal of Chemical Physics|May 9, 2023
Strengths and limitations of the adiabatic exact-exchange kernel for total energy calculationsMaria Hellgren, Lucas BaguetPhysical Review Letters|December 30, 2017
Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness DisasterTim Gould, Stefano PittalisPageof 7