Ab initio calculations on PO2 and anharmonic Franck-Condon simulations of its single-vibrational-level emission spectra

Chemistry

• Ab Initio Calculation 16%
• Analytical Method 16%
• Basis Set 33%
• CASSCF Calculation 50%
• Concentration 33%
• Configuration 33%
• Electronic State 50%
• Electronic Transition 16%
• Emission Spectrum 100%
• Energy 50%
• Equilibrium 16%
• Fluorescence Excitation 16%
• Laser Induced Fluorescence Spectroscopy 50%
• Multireference Configuration Interaction 33%
• Møller-Plesset Perturbation Theory 16%
• Optimization 16%
• Point Group T 50%
• Potential Energy Function 16%
• Procedure 16%
• Simulation 33%
• Spectra 33%
• Valence 16%
• Vibrational Frequency 16%
• Vibrational Level 100%