Benchmarking an Embedded Adaptive Sampling Configuration Interaction Method for Surface Reactions: H₂Desorption from and CH₄Dissociation on Cu(111)

Engineering & Materials Science

• Surface reactions 100%
• Benchmarking 73%
• Wave functions 55%
• Sampling 49%
• Desorption 34%
• Excited states 16%
• Ground state 14%
• Catalysis 13%
• Electrons 10%
• Composite materials 5%

Physics & Astronomy

• surface reactions 72%
• configuration interaction 71%
• sampling 58%
• self consistent fields 23%
• desorption 20%
• perturbation theory 19%
• dissociation 19%
• orbitals 10%
• factorials 10%
• catalysis 8%
• predictions 8%
• embedding 7%
• counting 6%
• scaling 5%
• ground state 5%
• composite materials 4%
• excitation 3%
• performance 3%
• electrons 3%

Chemical Compounds

• Surface Reaction 72%
• Sampling 57%
• CASSCF Calculation 40%
• Perturbation Theory 34%
• Desorption 22%
• Dissociation 21%
• Orbital 16%
• Field Theory 13%
• Heterogeneous Catalysis 11%
• Excited State 7%
• Ground State 7%
• Electron Particle 5%
• Composite Material 4%
• Surface 3%