Accurate prediction of heat of formation by combining Hartree-Fock/density functional theory calculation with linear regression correction approach

Physics & Astronomy

• heat of formation 100%
• regression analysis 80%
• density functional theory 60%
• predictions 42%
• electrons 33%
• molecules 16%
• deviation 11%
• ground state 10%
• atoms 7%
• energy 4%

Chemical Compounds

• Enthalpy of Formation 75%
• Density Functional Theory 48%
• Electron Particle 42%
• Electron Correlation Energy 35%
• Lone-Pair Electron 32%
• Hartree-Fock Calculation 32%
• Organic Molecule 24%
• Ground State 20%
• Molecule 9%