Are Semiclassical Methods Accurate for Electronically Nonadiabatic Transitions between Weakly Coupled Potential Energy Surfaces?

Keyphrases

• Potential Energy Surface 100%
• Reaction Probability 100%
• Weakly Coupled 100%
• Nonadiabatic Transition 100%
• Semiclassical Methods 100%
• Energy Conservation 66%
• Semiclassical 66%
• Quantum Mechanical Calculations 66%
• Histogram Analysis 66%
• Algorithm Analysis 33%
• Classical Trajectories 33%
• Quantum number 33%
• Quantum Mechanical Scattering 33%
• Final Value 33%
• Ehrenfest 33%
• Trajectory Surface Hopping 33%
• State Probability 33%
• Systematic Series 33%
• Non-adiabatic Reaction 33%
• State-to-state 33%
• Self-consistent Potential 33%
• Scattering Calculation 33%

Chemistry

• Potential Energy Surface 100%
• Quantum Number 50%