Hybrid functional

Known as: B3LYP, HSE, Heyd-Scuseria-Ernzerhof functional 
Hybrid functionals are a class of approximations to the exchange–correlation energy functional in density functional theory (DFT) that incorporate a… (More)
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Highly Cited
2012
Highly Cited
2012
Mikhail A. Kats, Deepika Sharma, Jiao Lin, Patrice Genevet, Romain Blanchard, Zheng Yang, M. Mumtaz Qazilbash, D. N. Basov… (More)
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Highly Cited
2012
Highly Cited
2012
Atmospheric new particle formation is an important source of atmospheric aerosols. Large efforts have been made during the past… (More)
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2008
2008
We show how different functional interpretations can be combined via a multi-modal linear logic. A concrete hybrid of Kreisel’s… (More)
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Highly Cited
2008
Highly Cited
2008
Circadian rhythm is fundamental in regulating a wide range of cellular, metabolic, physiological, and behavioral activities in… (More)
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Highly Cited
2006
Highly Cited
2006
A new density functional (DF) of the generalized gradient approximation (GGA) type for general chemistry applications termed B97… (More)
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Highly Cited
2004
Highly Cited
2004
The three horizontal cells of the lobula plate of the blowflyCalliphora erythrocephala were studied anatomically and… (More)
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Highly Cited
2003
Highly Cited
2003
Hybrid density functionals are very successful in describing a wide range of molecular properties accurately. In large molecules… (More)
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Highly Cited
2003
Highly Cited
2003
The following two matters should be resolved in order for biosimulation tools to be accepted by users in biology/medicine: (1… (More)
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Highly Cited
2003
Highly Cited
2003
The UN Framework Convention on Climate Change calls for "stabilization of greenhouse gas concentrations at a level that would… (More)
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Highly Cited
2003
Highly Cited
2003
Time dependent density functional methods are applied in the adiabatic approximation to compute low-lying electronic excitations… (More)
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