Basis set convergence of explicitly correlated double-hybrid density functional theory calculations

Keyphrases

• Density Functional Calculations 100%
• Explicitly Correlated 100%
• Double Hybrid Density Functional Theory 100%
• Basis Set Convergence 100%
• Angular Momentum 40%
• Basis Set Limit 40%
• Density Functional Theory 20%
• Correlation Energy 20%
• Cost-effective Approach 20%
• Small Basis 20%
• Kohn-Sham 20%
• Reaction Energy 20%
• Z-basis 20%

Earth and Planetary Sciences

• Density Functional Theory 100%
• Angular Momentum 50%

Chemistry

• Møller-Plesset Perturbation Theory 50%
• Angular Momentum 50%
• Electron Correlation Energy 25%