Bulk properties of transition metals: A challenge for the design of universal density functionals

Physics & Astronomy

• functionals 63%
• transition metals 56%
• gradients 44%
• approximation 35%
• flux density 12%
• catalysis 8%
• bulk modulus 7%
• kinetic energy 6%
• density functional theory 5%
• solid state 5%
• evaluation 4%
• performance 3%
• energy 2%

Chemical Compounds

• Transition Element 49%
• Bulk Modulus 30%
• Cohesive Energy 29%
• Body-Centered Cubic Crystal System 27%
• Kinetic Energy 26%
• Face-Centered Cubic Crystal System 24%
• Hexagonal Space Group 17%
• Catalysis 14%
• Density Functional Theory 14%
• Energy 10%

Engineering & Materials Science

• Transition metals 100%
• Density functional theory 33%
• Catalysis 30%
• Kinetic energy 24%
• Elastic moduli 19%