Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

Keyphrases

• Nonadiabatic Dynamics 100%
• Exact Factorization 100%
• Quantum Decoherence 100%
• Quantum Approach 66%
• Excited State Dynamics 66%
• Popular 33%
• Gas Phase 33%
• Quantum Mechanical 33%
• Wave Function 33%
• Photochemistry 33%
• Trajectory Approach 33%
• Non-equilibrium Molecular Dynamics 33%
• Revised Version 33%
• Ab Initio Molecular Dynamics Simulation 33%
• Ring Opening 33%
• Non-adiabatic 33%
• Decoherence 33%
• Decoherence Effect 33%
• Mechanical Problems 33%
• Classical Limit 33%
• Molecular Dynamics Study 33%
• Full Quantum 33%
• Fewest Switches Surface Hopping 33%
• Oxirane 33%

Chemistry

• Excited State 100%
• Decoherence 100%
• Nuclear Wave Function 50%
• Molecular Dynamics Study 50%
• Photochemical Reaction 50%
• Molecular dynamics simulation 50%
• ring opening of oxiranes 50%