Theoretical Chemistry

List of Contributors

Preface

Contents of Previous Volumes

Applications of Classical Trajectory Techniques to Reactive Scattering

I. Introduction

II. A Case Study Reopened: The F + H2 System

III. Other Systems

References

Accurate Quantum Calculations of Reactive Systems

I. Introduction

II. The Quantum Dynamics of Reactive Collinear Triatomic Reactions

III. The Quantum Dynamics of Three-Dimensional Reactive Triatomic Systems

IV. General Systems and Processes

V. Conclusion

References

Fluctuations in Chemically Reacting Systems

I. Introduction

II. Nonequilibrium Fluctuations

References

The Coupling of Electronically Adiabatic States in Atomic and Molecular Collisions

I. Introduction

II. The Scattering Problem in a Born-Oppenheimer Electronically Adiabatic Basis

III. Transformation to Diabatic Representations

IV. Solution of the Coupled Channel Equations by /?-Matrix Propagation

V. Summary

References

Index