Delocalization errors in a Hubbard-like model: Consequences for density-functional tight-binding calculations of molecular systems

Chemistry

• Charge Density 100%
• Density Functional Theory 33%
• Electron Affinity 33%
• Mixed Valence 33%
• Spin Polarization 33%
• Reorganization Energy 33%
• Solvent Effect 33%
• dimer 33%
• Transition Metal 33%
• Cytochrome C Oxidase 33%

Material Science

• Density 100%
• Transition Metal 16%
• Complex System 16%
• Spin Polarization 16%
• Cytochrome C Oxidase 16%

Immunology and Microbiology

• Cytochrome C Oxidase 100%