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Table of contents

Slide 1


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


Author: Jeremy Schofield


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Created September 15, 1997. Last updated September, 2016.