Embedded configuration interaction description of CO on Cu(111): Resolution of the site preference conundrum

Engineering & Materials Science

• Density functional theory 100%
• Adsorption 65%
• Electron correlations 64%
• Binding energy 53%
• Chemisorption 50%
• Atoms 34%
• Electrons 33%
• Experiments 11%

Physics & Astronomy

• configuration interaction 68%
• density functional theory 25%
• adsorption 25%
• chemisorption 18%
• embedding 17%
• hollow 15%
• binding energy 14%
• electrons 14%
• approximation 8%
• atoms 8%

Chemical Compounds

• Multireference Configuration Interaction 32%
• Molecular Cluster 29%
• Density Functional Theory 27%
• Electron Correlation 26%
• Adsorption 21%
• Chemisorption 20%
• Binding Energy 19%
• Reaction Yield 9%