Examination of How Well Long-Range-Corrected Density Functionals Satisfy the Ionization Energy Theorem

Physics & Astronomy

• functionals 52%
• examination 47%
• theorems 46%
• ionization 39%
• energy 16%
• self consistent fields 14%
• molecular excitation 10%
• deviation 9%
• correlation coefficients 7%
• ingredients 7%
• molecular orbitals 6%
• cations 5%
• flux density 5%
• kinetic energy 5%
• tuning 5%
• orbitals 4%
• gradients 4%
• molecules 3%
• approximation 3%
• atoms 3%

Engineering & Materials Science

• Ionization potential 100%
• Molecular orbitals 19%
• Excitation energy 18%
• Density functional theory 16%
• Positive ions 13%
• Kinetic energy 11%
• Atoms 11%
• Molecules 10%
• Tuning 8%

Chemical Compounds

• Ionization Potential 55%
• Energy 15%
• Hartree-Fock Calculation 13%
• Kinetic Energy 12%
• Highest Occupied Molecular Orbital 12%
• CCSD 12%
• Calorific Value 11%
• Orbital 9%
• Cation 6%
• Molecule 3%