Applications of Quantum Dynamics in Chemistry

1. Introduction
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

Part I. Concepts and Methods

2. Quantum Mechanical Background
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

3. Molecular Hamiltonian Operators
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

4. Vibronic Couplings
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

5. Choosing the Set of Coordinates for the Nuclei
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

6. The Kinetic Energy Operator in Curvilinear Coordinates
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

7. Group Theory and Molecular Symmetry
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

8. Introduction to Numerical Methods
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

Part II. Applications

9. Infrared Spectroscopy
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

10. Photodissociation Spectroscopy
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

11. Bimolecular Reactions
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

12. Vibronic Coupling
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

13. Control of Molecular Processes
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

14. Erratum to: Applications of Quantum Dynamics in Chemistry
Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, André Nauts

Avainsanat: Chemistry, Theoretical and Computational Chemistry, Quantum Physics, Computer Applications in Chemistry, Math. Applications in Chemistry