Benchmark calculations with correlated molecular wave functions XII. Core correlation effects on the homonuclear diatomic molecules B₂-F₂

Keyphrases

• Correlation Effects 100%
• Benchmark Calculations 100%
• Core Correlation 100%
• Complete Basis Set Limit 100%
• Molecular Wave Function 100%
• Homonuclear Diatomic Molecule 100%
• CCSD(T) 50%
• Coupled Cluster 50%
• Total Energy 50%
• Triple Excitation 50%
• Bond Dissociation Energy 50%
• Harmonic Frequency 50%
• Energy Equilibrium 50%
• Spectroscopic Constants 50%
• Equilibrium Geometry 50%
• Correlation-consistent Basis Sets 50%
• Connected Triple 50%
• Correlation Consistent 50%
• Multireference Configuration Interaction 50%
• Valence Basis Sets 50%

Chemistry

• Wave Function 100%
• Coupled Cluster Singles and Doubles Theory 100%
• Diatomic Molecule 100%
• Primary Structure 50%
• CCSD 50%
• Dissociation Energy 50%
• Multireference Configuration Interaction 50%

Mathematics

• wavefunction ψ 100%
• Limit Set 100%
• Complete Set 50%
• Equilibrium Energy 50%