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Table of contents 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

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This page is maintained by jmschofi@chem.utoronto.ca
Created September 15, 1997. Last updated September, 2016.