Predicting density functional theory total energies and enthalpies of formation of metal-nonmetal compounds by linear regression

Keyphrases

• Density Functional Theory 100%
• Formation Energy 100%
• Enthalpy of Formation 100%
• Total Energy 100%
• Linear Regression 100%
• Non-metal 100%
• Total Enthalpy 100%
• Phase Reference 66%
• Materials Science 33%
• Gas Phase 33%
• Large Set 33%
• Quantum Chemistry 33%
• Quantum Materials 33%
• Physical Mechanism 33%
• Elemental Constituents 33%
• Underground Physics 33%
• Direct Calculation 33%
• Energy Approach 33%
• Electron Affinity 33%
• Ionization Energy 33%
• Chemical Trends 33%
• Stepwise multiple Linear Regression 33%
• Energy Value 33%
• Metallic Iron 33%
• Solid State Physics 33%
• Mean Absolute Error 33%
• Electronegativity Difference 33%
• Reference Phase 33%
• Compound Composition 33%
• Pauling Electronegativity 33%
• Electric Polarizability 33%
• Theory U 33%
• Iron Phases 33%
• Atomic Ionization 33%

Chemistry

• Density Functional Theory 100%
• Chemical Element 100%
• Enthalpy of Formation 100%
• Ground State 33%
• Crystal Structure 33%
• Crystal Phase Property 33%
• Ionization Potential 33%
• Quantum Chemistry 33%
• Electronegativity 33%
• Calorific Value 33%
• Electron Affinity 33%
• Polarizability 33%