Nonadiabatic Dynamics of 1,3-Cyclohexadiene by Curvature-Driven Coherent Switching with Decay of Mixing

Keyphrases

• Ring Opening 100%
• Conical Intersection 100%
• 1,3-cyclohexadiene 100%
• Quantum Yield 100%
• CASPT2 100%
• Ring-opening Reaction 100%
• Nonadiabatic Dynamics 100%
• Curvature-driven 100%
• Ultrafast 50%
• Non-adiabatic 50%
• Photoinduced 50%
• Yield Value 50%
• Mixing Method 50%
• Second-order Perturbation Theory 50%
• Local Minima 50%
• Potential Energy Profile 50%
• Minimum Energy 50%
• Electronic States 50%
• Dark State 50%
• Time Derivative 50%
• Nonadiabatic Coupling 50%
• Dynamical Method 50%
• Excited State Lifetime 50%
• Lifetime Yield 50%
• Low Valence 50%
• Electrocyclic Reactions 50%
• 1,3,5-hexatriene 50%
• Diabatization 50%
• Complete Active Space 50%

Chemistry

• Ring Opening Reaction 100%
• Cyclohexadiene 100%
• Quantum Yield 50%
• Excited State 25%
• Electronic State 25%
• k·p perturbation theory 25%
• Potential Energy 25%
• Perturbation Theory 25%