Double-hybrid density-functional theory applied to molecular crystals

Keyphrases

• Molecular Crystals 100%
• LMP2 100%
• Double Hybrid Density Functional Theory 100%
• Double Hybrids 100%
• Density Functional 66%
• One-parameter 66%
• Lattice Energy 66%
• Hybrid Approximation 66%
• Ammonia 33%
• Urea 33%
• Carbon Dioxide 33%
• Perturbation Theory 33%
• Hybrid Method 33%
• Two-parameter 33%
• Kohn-Sham 33%
• Formamide 33%
• Exchange-correlation 33%
• PBEsol 33%
• Semilocal 33%
• Hydrogen Cyanide 33%
• Supramolecular Dimers 33%

Chemistry

• Crystal Energy 100%
• Molecular Crystal 100%
• Density Functional Theory 100%
• k·p perturbation theory 50%
• Formamide 50%
• Hydrogen Cyanide 50%
• Perturbation Theory 50%
• dimer 50%
• Carbon Dioxide 50%