Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same?

Chemical Compounds

• Band Gap 55%
• Density Functional Theory 46%
• Electron Spin 41%
• Polarization 18%
• Spin State 55%
• Spin Transition 100%

Physics & Astronomy

• crossovers 33%
• density functional theory 57%
• functionals 69%
• geometry 20%
• iron 13%
• polarization 9%