Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation

The Minnesota family of exchange–correlation functionals, which consists of meta generalized gradient approximations (meta-GGAs) and global-hybrid meta-GGAs, has been successful for density functional calculations of molecular structure, properties, and thermochemistry, kinetics, noncovalent interac...

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Bibliographic Details
Published inThe journal of physical chemistry letters Vol. 2; no. 21; pp. 2810 - 2817
Main Authors Peverati, Roberto, Truhlar, Donald G
Format Journal Article
LanguageEnglish
Published American Chemical Society 03.11.2011
Subjects
Molecular Structure, Quantum Chemistry, General Theory
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