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Gledhill, Jonathan D., Tozer, David J. (2015) System-dependent exchange–correlation functional with exact asymptotic potential and εHOMO ≈ − I. The Journal of Chemical Physics, 143 (2). 24104pp. doi:10.1063/1.4926397

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Reference TypeJournal (article/letter/editorial)
TitleSystem-dependent exchange–correlation functional with exact asymptotic potential and εHOMO ≈ − I
JournalThe Journal of Chemical Physics
AuthorsGledhill, Jonathan D.Author
Tozer, David J.Author
Year2015 (July 14)Volume143
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.4926397Search in ResearchGate
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Mindat Ref. ID2380916Long-form Identifiermindat:1:5:2380916:7
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Full ReferenceGledhill, Jonathan D., Tozer, David J. (2015) System-dependent exchange–correlation functional with exact asymptotic potential and εHOMO ≈ − I. The Journal of Chemical Physics, 143 (2). 24104pp. doi:10.1063/1.4926397
Plain TextGledhill, Jonathan D., Tozer, David J. (2015) System-dependent exchange–correlation functional with exact asymptotic potential and εHOMO ≈ − I. The Journal of Chemical Physics, 143 (2). 24104pp. doi:10.1063/1.4926397
In(2015, July) The Journal of Chemical Physics Vol. 143 (2) AIP Publishing

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TOZER, DAVID J., HANDY, NICHOLAS C. (2003) The importance of the asymptotic exchange-correlation potential in density functional theory. Molecular Physics, 101. 2669-2675 doi:10.1080/0026897031000094443
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Tozer, David J. (2000) The asymptotic exchange potential in Kohn–Sham theory. The Journal of Chemical Physics, 112 (8). 3507-3515 doi:10.1063/1.480505
Hellgren, Maria, von Barth, Ulf (2010) Correlation energy functional and potential from time-dependent exact-exchange theory. The Journal of Chemical Physics, 132 (4). 44101pp. doi:10.1063/1.3290947
Keal, Thomas W., Tozer, David J. (2004) A semiempirical generalized gradient approximation exchange-correlation functional. The Journal of Chemical Physics, 121 (12). 5654-5660 doi:10.1063/1.1784777
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Keal, Thomas W., Tozer, David J. (2003) The exchange-correlation potential in Kohn–Sham nuclear magnetic resonance shielding calculations. The Journal of Chemical Physics, 119 (6). 3015-3024 doi:10.1063/1.1590634
Tozer, David J. (2023) Effective homogeneity of Fermi–Amaldi-containing exchange–correlation functionals. The Journal of Chemical Physics, 159 (24) doi:10.1063/5.0179111
Cencek, Wojciech, Szalewicz, Krzysztof (2013) On asymptotic behavior of density functional theory. The Journal of Chemical Physics, 139 (2). 24104pp. doi:10.1063/1.4811833
Allen, Mark J., Tozer, David J. (2000) Kohn–Sham calculations using hybrid exchange-correlation functionals with asymptotically corrected potentials. The Journal of Chemical Physics, 113 (13). 5185pp. doi:10.1063/1.1290002
Tozer, David J., Ingamells, Victoria E., Handy, Nicholas C. (1996) Exchange‐correlation potentials. The Journal of Chemical Physics, 105 (20). 9200-9213 doi:10.1063/1.472753
 
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