Toward an orbital-free density functional theory of transition metals based on an electron density decomposition

Engineering & Materials Science

• Density functional theory 100%
• Transition metals 98%
• Carrier concentration 94%
• Kinetic energy 70%
• Discrete Fourier transforms 48%
• Decomposition 48%
• Vacancies 30%
• Interfacial energy 27%
• Electrons 22%
• Ions 20%
• Elastic moduli 18%

Physics & Astronomy

• functionals 62%
• transition metals 55%
• flux density 53%
• kinetic energy 53%
• density functional theory 51%
• decomposition 50%
• orbitals 47%
• pseudopotentials 44%
• energy of formation 23%
• surface energy 21%
• modulus of elasticity 17%
• predictions 11%
• ions 10%
• electrons 9%
• interactions 8%

Chemical Compounds

• Kinetic Energy 77%
• Electron Density 61%
• Pseudopotential 56%
• Transition Element 48%
• Decomposition 43%
• Density Functional Theory 41%
• Face-Centered Cubic Crystal System 23%
• Interfacial Energy 21%
• Error 16%
• Alloy 15%
• Energy 10%