MN15: A Kohn-Sham global-hybrid exchange-correlation density functional with broad accuracy for multi-reference and single-reference systems and noncovalent interactions

Keyphrases

• Multireference 100%
• Density Functional 100%
• System Interaction 100%
• Single Reference 100%
• Kohn-Sham 100%
• Noncovalent Interactions 100%
• Global Hybrid 100%
• Exchange-correlation 100%
• MN15 100%
• Hybrid Exchange 100%
• Training Set 33%
• Electronic Excitation Energy 33%
• Bond Length 33%
• Reaction Barrier Heights 33%
• Organic Molecules 33%
• Atomic Energy 33%
• Molecular Structure 16%
• Non-covalent 16%
• Multiconfigurational 16%
• Hydrocarbons 16%
• Molecular Excitons 16%
• Electronic Excitation 16%
• Thermochemistry 16%
• Chemical Properties 16%
• Valence 16%
• Excitation Energy 16%
• Proton Affinity 16%
• Chemical Accuracy 16%
• Atomization Energy 16%
• Transition Metal Dimer 16%
• Bond Energy 16%
• Exchange-correlation Functionals 16%
• Electron Affinity 16%
• Ionization Potential 16%
• Chemical Data 16%
• Rydberg 16%
• Ground State Properties 16%
• Isomerization Energies 16%
• Energy Structure 16%
• Semiconductor Bandgap 16%
• Linear-response Time-dependent Density Functional Theory 16%
• Reference Chemicals 16%
• Affinity Reaction 16%
• Coordination Energies 16%
• Transition Metal Coordination 16%

Chemistry

• Electronic Excitation 100%
• Transition Metal 100%
• Bond Length 66%
• Organic Molecule 66%
• Nuclear Energy 66%
• Ground State 33%
• Band Gap 33%
• Proton Affinity 33%
• Enthalpy of Atomization 33%
• Electron Affinity 33%
• Bond Energy 33%
• Thermochemistry 33%
• Ionization Potential 33%
• Time-Dependent Density Functional Theory 33%
• Isomerization 33%
• Molecular Structure 33%
• dimer 33%