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Gould, Tim, Stefanucci, Gianluca, Pittalis, Stefano (2020) Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation Theorem. Physical Review Letters, 125 (23) doi:10.1103/physrevlett.125.233001

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Reference TypeJournal (article/letter/editorial)
TitleEnsemble Density Functional Theory: Insight from the Fluctuation-Dissipation Theorem
JournalPhysical Review Letters
AuthorsGould, TimAuthor
Stefanucci, GianlucaAuthor
Pittalis, StefanoAuthor
Year2020 (December 1)Volume125
Issue23
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevlett.125.233001Search in ResearchGate
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Mindat Ref. ID13175097Long-form Identifiermindat:1:5:13175097:7
GUID0
Full ReferenceGould, Tim, Stefanucci, Gianluca, Pittalis, Stefano (2020) Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation Theorem. Physical Review Letters, 125 (23) doi:10.1103/physrevlett.125.233001
Plain TextGould, Tim, Stefanucci, Gianluca, Pittalis, Stefano (2020) Ensemble Density Functional Theory: Insight from the Fluctuation-Dissipation Theorem. Physical Review Letters, 125 (23) doi:10.1103/physrevlett.125.233001
In(2020, December) Physical Review Letters Vol. 125 (23) American Physical Society (APS)

See Also

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Gould, Tim, Pittalis, Stefano (2017) Hartree and Exchange in Ensemble Density Functional Theory: Avoiding the Nonuniqueness Disaster. Physical Review Letters, 119 (24). doi:10.1103/physrevlett.119.243001
Jacob, David, Stefanucci, Gianluca, Kurth, Stefan (2020) Mott Metal-Insulator Transition from Steady-State Density Functional Theory. Physical Review Letters, 125 (21) doi:10.1103/physrevlett.125.216401
Gould, Tim, Pittalis, Stefano (2020) Density-Driven Correlations in Ensemble Density Functional Theory: Insights from Simple Excitations in Atoms. Australian Journal of Chemistry, 73 (8) 714pp. doi:10.1071/ch19504
Gould, Tim, Kronik, Leeor, Pittalis, Stefano (2021) Double excitations in molecules from ensemble density functionals: Theory and approximations. Physical Review A, 104 (2). doi:10.1103/physreva.104.022803
Gould, Tim, Kooi, Derk P., Gori-Giorgi, Paola, Pittalis, Stefano (2023) Electronic Excited States in Extreme Limits via Ensemble Density Functionals. Physical Review Letters, 130 (10) doi:10.1103/physrevlett.130.106401
Gould, Tim, Pittalis, Stefano (2019) Density-Driven Correlations in Many-Electron Ensembles: Theory and Application for Excited States. Physical Review Letters, 123 (1). doi:10.1103/physrevlett.123.016401
Pribram-Jones, Aurora, Grabowski, Paul E., Burke, Kieron (2016) Thermal Density Functional Theory: Time-Dependent Linear Response and Approximate Functionals from the Fluctuation-Dissipation Theorem. Physical Review Letters, 116 (23). doi:10.1103/physrevlett.116.233001
Schilling, Christian, Pittalis, Stefano (2021) Ensemble Reduced Density Matrix Functional Theory for Excited States and Hierarchical Generalization of Pauli’s Exclusion Principle. Physical Review Letters, 127 (2) doi:10.1103/physrevlett.127.023001
Gould, Tim; Dale, Stephen G.; Kronik, Leeor; Pittalis, Stefano (2025) State-Specific Density Functionals for Excited States via a Density-Driven Correlation Model. Physical Review Letters, 134 (22). doi:10.1103/physrevlett.134.228001
Gould, Tim, Pittalis, Stefano, Toulouse, Julien, Kraisler, Eli, Kronik, Leeor (2019) Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory. Physical Chemistry Chemical Physics, 21 (36). 19805-19815 doi:10.1039/c9cp03633d
Burke, Kieron, Cancio, Antonio, Gould, Tim, Pittalis, Stefano (2016) Locality of correlation in density functional theory. The Journal of Chemical Physics, 145 (5). 54112pp. doi:10.1063/1.4959126
 
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