State-selective multi-reference coupled-cluster theory employing the single-reference formalism: Application to an excited state of H₈

Keyphrases

• Excited States 100%
• Single Reference 100%
• Coupled Cluster Theory 100%
• Double Excitation 100%
• Multireference Coupled Cluster 100%
• Single Excitation 80%
• Hydrogen Atom 20%
• Molecular Systems 20%
• Singlet State 20%
• Coupled Cluster 20%
• Non-degenerate 20%
• Coupled Cluster Calculations 20%
• First Excited State 20%
• Totally Symmetric 20%
• Clustering Energy 20%
• Full Configuration Interaction 20%
• Multi-reference Coupled-cluster Methods 20%
• Configuration Interaction Method 20%
• Minimum Basis 20%

Chemistry

• Excited State 100%
• Coupled Cluster Theory 100%
• Singlet State 33%
• Hydrogen Atom 33%
• Coupled Cluster 33%
• Coupled Cluster Methods 33%
• Configuration Interaction Methods 33%