Monte Carlo configuration interaction predictions for the electronic spectra of Ne, CH2, C2, N2, and H2 O compared to full configuration interaction calculations

Keyphrases

• Full Configuration Interaction 100%
• Configuration Interaction Calculations 100%
• Hydrogen Peroxide 100%
• Monte Carlo Configuration Interaction 100%
• Electronic Spectra 100%
• Interaction Prediction 100%
• N 2O 100%
• Triplet 50%
• Molecular Systems 50%
• Singlet 50%
• Excitation Energy 50%
• Electronic Excitation 50%
• Small Molecular 50%
• Equation-of-motion Coupled-cluster Theory 50%
• Configuration Interaction Method 50%
• Electronic Excitation Energy 50%
• Configuration State Functions 50%
• Full CI 50%

Chemistry

• Configuration Interaction 100%
• Electronic Excitation 66%
• Configuration Interaction Methods 33%
• Coupled Cluster Methods 33%