On-Top Pair Density as a Measure of Left-Right Correlation in Bond Breaking

Keyphrases

• Pair Density 100%
• Bond Breaking 100%
• Top Pair 100%
• Wave Function 80%
• Two-electron 40%
• Electron Correlation 40%
• Total Density 40%
• Internuclear Distance 20%
• Analytic Expression 20%
• Same Points 20%
• Space Wave 20%
• Active Orbital 20%
• Complete Active Space 20%
• Hartree-Fock Wave Function 20%
• CASSCF 20%
• Unrestricted Hartree-Fock 20%
• Two-wave 20%
• Complete Active Space Self-consistent Field 20%

Chemistry

• Wave Function 100%
• Electron Correlation 40%
• CASSCF Calculation 40%
• Fischer Synthesis 20%
• Restricted open-shell Hartree-Fock calculation 20%