DFVB: A density-functional-based valence bond method

Keyphrases

• Density Functional 100%
• Correlation Energy 100%
• Valence Bond Method 100%
• Dipole Moment 50%
• Electronic States 50%
• Resonance Energy 50%
• Wave Function 50%
• Low Computational Complexity 50%
• Chemical Reaction 50%
• Correlation Function 50%
• Dynamic Correlation 50%
• Reaction Barrier 50%
• Diatomic Molecules 50%
• Static Correlation 50%
• Spectroscopic Parameters 50%
• Density Correlation 50%
• Charge-shift 50%
• Correlation Correction 50%
• Total Charges 50%
• DFT Method 50%
• Singlet-triplet Gap 50%
• Diradical Species 50%

Chemistry

• Electron Correlation Energy 100%
• Valence Bond Methods 100%
• Electronic State 50%
• Resonance Energy 50%
• Dipole Moment 50%
• Valence Bond Calculation 50%
• Density Functional Theory 50%
• Wave Function 50%