| Description |
1 online resource (xiv, 366 pages) : illustrations |
| Contents |
1. Separation of Electronic and Nuclear Motions -- 2. Ab initio Theory for Electrons -- 3. Rovibrational Motions of Molecules -- 4. Fundamental Theory of Quantum Scattering -- 5. Time-Independent Approach to Reactive Scattering -- 6. Time-Dependent Approach to Reactive Scattering -- 7. State-to-State Reactive Scattering -- 8. Dynamics of Chemical Reactions -- 9. Photon Induced Molecular Processes -- 10. Molecular Reactions on Surfaces -- 11. Semiclassical Descriptions of Quantum Mechanics -- App. A. Orthogonal Polynomials and Special Functions -- App. B. Gaussian Quadrature -- App. C. Clebsch-Gordon Coefficients -- App. D. Space-Fixed and Body-Fixed Frames |
| Summary |
This book provides a detailed presentation of modern quantum theories for treating the reaction dynamics of small molecular systems. Its main focus is on the recent development of successful quantum dynamics theories and computational methods for studying the molecular reactive scattering process, with specific applications given in detail for a number of benchmark chemical reaction systems in the gas phase and the gas surface. The book is intended for the reader to not only understand molecular reaction dynamics from the fundamental scattering theory, but also to utilize the described computational methodologies in their practical applications. It will be of benefit to graduate students and researchers in the field of chemical physics |
| Bibliography |
Includes bibliographical references (pages 345-358) and index |
| Notes |
Print version record |
| Subject |
Quantum chemistry.
|
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Molecular dynamics.
|
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Chemical kinetics.
|
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SCIENCE -- Chemistry -- Physical & Theoretical.
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Chemical kinetics
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Molecular dynamics
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Quantum chemistry
|
| Form |
Electronic book
|
| ISBN |
9789812839718 |
|
9812839712 |
|
