Choosing a model and appropriate transition dipole moments for time-dependent calculations of intervalence electronic transitions

Keyphrases

• Electronic Transitions 100%
• Intervalence 100%
• Transition Dipole Moment 100%
• Potential Surface 66%
• Polarization Direction 66%
• Adiabatic Potential 66%
• Diabatic 66%
• Electron Transfer 33%
• Absorption Spectra 33%
• Charge Transfer 33%
• Two-site 33%
• Physical Model 33%
• Mixed Valence 33%
• Antibonding 33%
• Double Minima 33%
• Adiabatic Potential Energy Surfaces 33%
• Incident Light 33%
• Molecular Orbital 33%
• Diabatic Model 33%
• Adiabatic Model 33%
• Explicit Relationship 33%
• Condon Approximation 33%

Chemistry

• Dipole Moment 100%
• Electronic Transition 100%
• Adiabatic Potential 100%
• Potential Energy Surface 33%
• Molecular Orbital 33%
• Mixed Valence 33%
• Models (Physical) 33%
• Electron Transport 33%
• Absorption Spectra 33%