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Peverati, Roberto, Truhlar, Donald G. (2011) Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation. The Journal of Physical Chemistry Letters, 2 (21). 2810-2817 doi:10.1021/jz201170d

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Reference TypeJournal (article/letter/editorial)
TitleImproving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation
JournalThe Journal of Physical Chemistry Letters
AuthorsPeverati, RobertoAuthor
Truhlar, Donald G.Author
Year2011 (November 3)Volume2
Issue21
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jz201170dSearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID11253039Long-form Identifiermindat:1:5:11253039:0
GUID0
Full ReferencePeverati, Roberto, Truhlar, Donald G. (2011) Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation. The Journal of Physical Chemistry Letters, 2 (21). 2810-2817 doi:10.1021/jz201170d
Plain TextPeverati, Roberto, Truhlar, Donald G. (2011) Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation. The Journal of Physical Chemistry Letters, 2 (21). 2810-2817 doi:10.1021/jz201170d
In(2011, November) The Journal of Physical Chemistry Letters Vol. 2 (21) American Chemical Society (ACS)

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Peverati, Roberto, Truhlar, Donald G. (2012) Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics. Physical Chemistry Chemical Physics, 14 (47). 16187pp. doi:10.1039/c2cp42576a
Peverati, Roberto, Truhlar, Donald G. (2014) Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 372 (2011) 20120476 doi:10.1098/rsta.2012.0476
Peverati, Roberto, Truhlar, Donald G. (2012) M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics. The Journal of Physical Chemistry Letters, 3 (1). 117-124 doi:10.1021/jz201525m
Peverati, Roberto, Zhao, Yan, Truhlar, Donald G. (2011) Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance. The Journal of Physical Chemistry Letters, 2 (16). 1991-1997 doi:10.1021/jz200616w
Peverati, Roberto, Truhlar, Donald G. (2012) Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory. Physical Chemistry Chemical Physics, 14 (32). 11363pp. doi:10.1039/c2cp41295k
Peverati, Roberto, Truhlar, Donald G. (2011) Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry. The Journal of Chemical Physics, 135 (19). 191102pp. doi:10.1063/1.3663871
Leverentz, Hannah R., Truhlar, Donald G. (2008) Assessment of New Meta and Hybrid Meta Density Functionals for Predicting the Geometry and Binding Energy of a Challenging System: The Dimer of H2S and Benzene. The Journal of Physical Chemistry A, 112 (26). 6009-6016 doi:10.1021/jp8018364
Li, Ruifang, Peverati, Roberto, Isegawa, Miho, Truhlar, Donald G. (2013) Assessment and Validation of Density Functional Approximations for Iron Carbide and Iron Carbide Cation. The Journal of Physical Chemistry A, 117 (1). 169-173 doi:10.1021/jp3079106
Isegawa, Miho, Peverati, Roberto, Truhlar, Donald G. (2012) Performance of recent and high-performance approximate density functionals for time-dependent density functional theory calculations of valence and Rydberg electronic transition energies. The Journal of Chemical Physics, 137 (24). 244104pp. doi:10.1063/1.4769078
Schultz, Nathan E., Zhao, Yan, Truhlar, Donald G. (2005) Databases for Transition Element Bonding:  Metal−Metal Bond Energies and Bond Lengths and Their Use To Test Hybrid, Hybrid Meta, and Meta Density Functionals and Generalized Gradient Approximations. The Journal of Physical Chemistry A, 109 (19). 4388-4403 doi:10.1021/jp0504468
Peverati, Roberto, Head-Gordon, Martin (2013) Orbital optimized double-hybrid density functionals. The Journal of Chemical Physics, 139 (2). 24110pp. doi:10.1063/1.4812689
 
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