Concepedia

Spectral signatures of thieno[3,4-b]pyrazines: Theoretical interpretations and design of improved structures

José P. Cerón‐Carrasco, Aymeric Siard, Denis Jacquemin

Dyes and Pigments · 2013 · 22 citations · 33 references

DOI

Concepts

References

33

Toward reliable density functional methods without adjustable parameters: The PBE0 model

Carlo Adamo, Vincenzo Barone · The Journal of Chemical Physics · 1999 · 18.9K citations

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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)

Takeshi Yanai, David P. Tew, Nicholas C. Handy · Chemical Physics Letters · 2004 · 14.8K citations

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Assessment of the Perdew–Burke–Ernzerhof exchange-correlation functional

Matthias Ernzerhof, Gustavo E. Scuseria · The Journal of Chemical Physics · 1999 · 5.4K citations

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Systematic optimization of long-range corrected hybrid density functionals

Jeng‐Da Chai, Martin Head‐Gordon · The Journal of Chemical Physics · 2008 · 4.1K citations

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A long-range correction scheme for generalized-gradient-approximation exchange functionals

Hisayoshi Iikura, Takao Tsuneda, Takeshi Yanai et al. · The Journal of Chemical Physics · 2001 · 2.4K citations

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