DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections
文献情報
Sebastian Kozuch
Spin-component scaled double hybrids including dispersion correction were optimized for many exchange and correlation functionals. Even DSD-LDA performs surprisingly well. DSD-PBEP86 emerged as a very accurate and robust method, approaching the accuracy of composite ab initio methods at a fraction of their computational cost.
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Polycyclic Aromatic Compounds

Topics in Catalysis

Journal of Chemical Sciences

Critical Reviews in Solid State and Materials Sciences

Medicinal Chemistry Research

Atomization and Sprays

Acta Metallurgica Sinica-English Letters

Bioorganic & Medicinal Chemistry Letters

Herald of the Russian Academy of Sciences

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