DSD-BLYP: A general purpose double hybrid density functional including spin component scaling and dispersion correction

Keyphrases

• Parametrization 100%
• Scale Correction 100%
• Thermochemistry 100%
• Dispersion Correction 100%
• Spin-component Scaling 100%
• Double-hybrid Density Functionals 100%
• Transition State 50%
• Computational Cost 50%
• Training Set 50%
• Scale Factor 50%
• Double Hybrid DFT 50%
• Double Hybrids 50%
• Nondynamical Correlation 50%
• Dispersion Forces 50%
• Group State 50%
• Spin-component-scaled 50%
• Harmonic Frequency 50%
• Frequency Calculation 50%
• Accurate Results 50%

Chemistry

• Chemical Kinetics Characteristics 100%
• Thermochemistry 100%
• Transition State 50%
• Møller-Plesset Perturbation Theory 50%
• Density Functional Theory 50%