Tests of exchange-correlation functional approximations against reliable experimental data for average bond energies of 3d transition metal compounds

Engineering & Materials Science

• Transition metal compounds 100%
• Molecules 46%
• Transition metals 39%
• Discrete Fourier transforms 29%
• Atoms 21%
• Wave functions 18%
• Molecular mechanics 10%
• Density functional theory 10%
• Metals 8%
• Hydrides 8%
• Atomization 7%
• Kinetic energy 7%
• Enthalpy 6%
• Oxides 5%
• Damping 5%
• Uncertainty 4%
• Hot Temperature 3%

Physics & Astronomy

• metal compounds 63%
• transition metals 39%
• gradients 28%
• approximation 24%
• molecules 14%
• energy 13%
• functionals 7%
• wave functions 6%
• atoms 5%
• metal hydrides 5%
• reference systems 5%
• heat of formation 5%
• atomizing 4%
• electronics 4%
• cancellation 4%
• metal oxides 3%
• enthalpy 3%
• performance 3%
• flux density 3%
• kinetic energy 3%
• damping 3%
• inclusions 3%
• density functional theory 3%
• symmetry 2%
• predictions 2%

Chemical Compounds

• Bond Energy 53%
• Error 35%
• Transition Element 34%
• Molecule 16%
• Wave Function 15%
• Enthalpy of Formation 12%
• Energy 9%
• Enthalpy of Atomization 9%
• Hartree-Fock Method 9%
• Vibrational Energy 8%
• Metal Hydride 8%
• Kinetic Energy 7%
• Molecular Mechanic 6%
• Electron Spin 5%
• Metal Oxide 5%
• Density Functional Theory 4%