Resonance raman spectroscopy of the S₁ and S₂ states of pyrazine: Experiment and first principles calculation of spectra

Keyphrases

• First-principles Calculations 100%
• Non-separability 33%
• Propagation Method 33%
• Raman Cross Section 33%
• Field Configuration 33%
• Vibrational Degree of Freedom 33%
• Multireference Configuration Interaction 33%
• Phase Resonance 33%
• First-principle Prediction 33%
• Multimode Propagation 33%
• Complete Active Space Self-consistent Field (CASSCF) 33%
• Time-dependent Approaches 33%

Chemistry

• CASSCF Calculation 33%
• Multireference Configuration Interaction 33%