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Tim Gould https://orcid.org/0000-0002-7191-9124 A C and Stefano Pittalis B
+ Author Affiliations
- Author Affiliations

A Queensland Micro- and Nanotechnology Centre, Griffith University, Nathan, Qld 4111, Australia.

B CNR-Istituto Nanoscienze, Via Campi 213A, I-41125 Modena, Italy.

C Corresponding author. Email: t.gould@griffith.edu.au

Australian Journal of Chemistry 73(8) 714-723 https://doi.org/10.1071/CH19504
Submitted: 8 October 2019  Accepted: 19 December 2019   Published: 1 May 2020



13 articles found in Crossref database.

Single Excitation Energies Obtained from the Ensemble “HOMO–LUMO Gap”: Exact Results and Approximations
Gould Tim, Hashimi Zahed, Kronik Leeor, Dale Stephen G.
The Journal of Physical Chemistry Letters. 2022 13(10). p.2452
Ensemble Density Functional Theory of Neutral and Charged Excitations
Cernatic Filip, Senjean Bruno, Robert Vincent, Fromager Emmanuel
Topics in Current Chemistry. 2022 380(1).
Approximately Self-Consistent Ensemble Density Functional Theory: Toward Inclusion of All Correlations
Gould Tim
The Journal of Physical Chemistry Letters. 2020 11(22). p.9907
Exact conditions for ensemble density functional theory
Scott Thais R., Kozlowski John, Crisostomo Steven, Pribram-Jones Aurora, Burke Kieron
Physical Review B. 2024 109(19).
Double excitations in molecules from ensemble density functionals: Theory and approximations
Gould Tim, Kronik Leeor, Pittalis Stefano
Physical Review A. 2021 104(2).
Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation Theorem
Gould Tim, Stefanucci Gianluca, Pittalis Stefano
Physical Review Letters. 2020 125(23).
Toward routine Kohn–Sham inversion using the “Lieb-response” approach
Gould Tim
The Journal of Chemical Physics. 2023 158(6).
Density functional study of atoms spatially confined inside a hard sphere
Majumdar Sangita, Roy Amlan K.
International Journal of Quantum Chemistry. 2021 121(11).
Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems
Fromager Emmanuel
Physical Review Letters. 2020 124(24).
PhysChem 2019: RACI Australian Conference on Physical Chemistry, Perth, 11–14 February 2019
Wild Duncan A.
Australian Journal of Chemistry. 2020 73(8). p.665
Ensemble generalized Kohn–Sham theory: The good, the bad, and the ugly
Gould Tim, Kronik Leeor
The Journal of Chemical Physics. 2021 154(9).
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
Teale Andrew M., Helgaker Trygve, Savin Andreas, Adamo Carlo, Aradi Bálint, Arbuznikov Alexei V., Ayers Paul W., Baerends Evert Jan, Barone Vincenzo, Calaminici Patrizia, Cancès Eric, Carter Emily A., Chattaraj Pratim Kumar, Chermette Henry, Ciofini Ilaria, Crawford T. Daniel, De Proft Frank, Dobson John F., Draxl Claudia, Frauenheim Thomas, Fromager Emmanuel, Fuentealba Patricio, Gagliardi Laura, Galli Giulia, Gao Jiali, Geerlings Paul, Gidopoulos Nikitas, Gill Peter M. W., Gori-Giorgi Paola, Görling Andreas, Gould Tim, Grimme Stefan, Gritsenko Oleg, Jensen Hans Jørgen Aagaard, Johnson Erin R., Jones Robert O., Kaupp Martin, Köster Andreas M., Kronik Leeor, Krylov Anna I., Kvaal Simen, Laestadius Andre, Levy Mel, Lewin Mathieu, Liu Shubin, Loos Pierre-François, Maitra Neepa T., Neese Frank, Perdew John P., Pernal Katarzyna, Pernot Pascal, Piecuch Piotr, Rebolini Elisa, Reining Lucia, Romaniello Pina, Ruzsinszky Adrienn, Salahub Dennis R., Scheffler Matthias, Schwerdtfeger Peter, Staroverov Viktor N., Sun Jianwei, Tellgren Erik, Tozer David J., Trickey Samuel B., Ullrich Carsten A., Vela Alberto, Vignale Giovanni, Wesolowski Tomasz A., Xu Xin, Yang Weitao
Physical Chemistry Chemical Physics. 2022 24(47). p.28700
Electronic Excited States in Extreme Limits via Ensemble Density Functionals
Gould Tim, Kooi Derk P., Gori-Giorgi Paola, Pittalis Stefano
Physical Review Letters. 2023 130(10).

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