Slide 1
Outline
The Born-Oppenheimer Approximation
Born-Oppenheimer Breakdown
BO Breakdown-cont.
Molecular Dynamics
Example Nonadiabatic Systems
Proton Transfer
Simple Models
Mean-Field Methods
Mean-Field Evolution
Surface-Hopping Methods
Mixed Quantum-Classical Formulation
Adiabatic Basis Equations
Comments on Mixed Quantum-Classical Liouville Equation
Solution Methods
Dynamical Picture
Importance Sampling
Localized Threads Method
Model System
Comparison of Methods
Localized Threads Convergence
Dual Avoided Crossing
Summary
Author: Jeremy Schofield
E-mail: jmschofi@chem.utoronto.ca
Homepage: www.chem.utoronto.ca/staff/JMS/schofield_j.html