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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 107, 2009 - Issue 8-12: A Special Issue in Honour of Professor Henry F. Schaefer
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Invited Articles

Assessment of a density functional with full exact exchange and balanced non-locality of correlation

Carlos A. Jiménez-Hoyos Department of Chemistry, Rice University, Houston, Texas 77005, USA
,
Benjamin G. Janesko Department of Chemistry, Rice University, Houston, Texas 77005, USA
,
Gustavo E. Scuseria Department of Chemistry, Rice University, Houston, Texas 77005, USACorrespondence[email protected]
,
Viktor N. Staroverov Department of Chemistry, The University of Western Ontario, London, Ontario N6A 5B7, Canada
&
John P. Perdew Department of Physics, Tulane University, New Orleans, Louisiana 70118, USA
Pages 1077-1088 | Received 12 Nov 2008, Accepted 10 Jan 2009, Published online: 07 Oct 2010

Citations (17)

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Benjamin G. Janesko, Giovanni Scalmani & Michael J. Frisch. (2019) Density functionals for nondynamical correlation constructed from an upper bound to the exact exchange energy density. Molecular Physics 117:9-12, pages 1226-1241.
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Articles from other publishers (16)

Benjamin G. Janesko. (2021) Replacing hybrid density functional theory: motivation and recent advances. Chemical Society Reviews 50:15, pages 8470-8495.
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Christof Holzer, Yannick J. Franzke & Max Kehry. (2021) Assessing the Accuracy of Local Hybrid Density Functional Approximations for Molecular Response Properties. Journal of Chemical Theory and Computation 17:5, pages 2928-2947.
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Henryk Laqua, Travis H. Thompson, Jörg Kussmann & Christian Ochsenfeld. (2020) Highly Efficient, Linear-Scaling Seminumerical Exact-Exchange Method for Graphic Processing Units. Journal of Chemical Theory and Computation 16:3, pages 1456-1468.
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Matthew Wang, Dwayne John, Jianguo Yu, Emil Proynov, Fenglai Liu, Benjamin G. Janesko & Jing Kong. (2019) Performance of new density functionals of nondynamic correlation on chemical properties. The Journal of Chemical Physics 150:20.
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Jianwei Sun, James W. Furness & Yubo Zhang. 2019. Mathematical Physics in Theoretical Chemistry. Mathematical Physics in Theoretical Chemistry 119 159 .
Toni M. Maier, Alexei V. Arbuznikov & Martin Kaupp. (2018) Local hybrid functionals: Theory, implementation, and performance of an emerging new tool in quantum chemistry and beyond. WIREs Computational Molecular Science 9:1.
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Stephen G. Dale, Erin R. Johnson & Axel D. Becke. (2017) Interrogating the Becke’05 density functional for non-locality information. The Journal of Chemical Physics 147:15.
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Xiao Zheng, Chen Li, Dadi Zhang & Weitao Yang. (2015) Scaling correction approaches for reducing delocalization error in density functional approximations. Science China Chemistry 58:12, pages 1825-1844.
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Jana Pavlíková Přecechtělová, Hilke Bahmann, Martin Kaupp & Matthias Ernzerhof. (2015) Design of exchange-correlation functionals through the correlation factor approach. The Journal of Chemical Physics 143:14.
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Alex P. GaidukIlya G. RyabinkinViktor N. Staroverov. (2015) Modified Slater exchange potential with correct uniform electron gas limit. Canadian Journal of Chemistry 93:1, pages 91-97.
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Eugene S. Kryachko & Eduardo V. Ludeña. (2014) Density functional theory: Foundations reviewed. Physics Reports 544:2, pages 123-239.
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Axel D. Becke. (2014) Perspective: Fifty years of density-functional theory in chemical physics. The Journal of Chemical Physics 140:18.
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Viktor N. Staroverov. 2012. A Matter of Density. A Matter of Density 125 156 .
Fenglai Liu, Emil Proynov, Jian-Guo Yu, Thomas R. Furlani & Jing Kong. (2012) Comparison of the performance of exact-exchange-based density functional methods. The Journal of Chemical Physics 137:11.
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Robin Haunschild, Thomas M. Henderson, Carlos A. Jiménez-Hoyos & Gustavo E. Scuseria. (2010) Many-electron self-interaction and spin polarization errors in local hybrid density functionals. The Journal of Chemical Physics 133:13.
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Robin Haunschild, Benjamin G. Janesko & Gustavo E. Scuseria. (2009) Local hybrids as a perturbation to global hybrid functionals. The Journal of Chemical Physics 131:15, pages 154112.
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