Density functional theory for reaction energies: Test of meta and hybrid meta functionals, range-separated functionals, and other high-performance functionals

Keyphrases

• High Performance 100%
• Density Functional Theory 100%
• Reaction Energy 100%
• Range-separated Functional 100%
• Energy Testing 100%
• Functional Range 100%
• Performance Functional 100%
• Density Functional 40%
• Dissociation Reaction 40%
• Minnesota 20%
• Benzene 20%
• Generalized Gradient Approximation 20%
• M06-2X 20%
• Bond Dissociation Energy 20%
• Meta-GGA Functional 20%
• Minnesota Functionals 20%
• Global Hybrid 20%
• M05-2X 20%
• TPSSh 20%
• M06-HF 20%
• Association Energy 20%
• Rearrangement Reaction 20%
• Alkali Metal Cations 20%
• B2PLYP 20%
• Alkali Metal Clusters 20%
• HSE Functional 20%

Chemistry

• Dissociation Reaction 100%
• Density Functional Theory 100%
• Generalized Gradient Approximation 50%
• Rearrangement Reaction 50%
• Alkali Metal Cation 50%
• Alkali Metal 50%
• Benzene 50%