Multidimensional Quantum Dynamics: MCTDH Theory and Applications
by Editor: Hans-Dieter Meyer (University of Heidelberg, Germany); Editor: Fabien Gatti (University of Montpellier, France); Editor: Graham A. Worth (University of Birmingham, UK)Format: eBook
Pub. Date: 2009-04-01
Publisher(s): Wiley-VCH
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Summary
The first book dedicated to this new and powerful computational method begins with a comprehensive description of MCTDH and its theoretical background. There then follows a discussion of recent extensions of MCTDH, such as the treatment of identical particles, leading to the MCTDHF and MCTDHB methods for fermions and bosons. The third section presents a wide spectrum of very different applications to reflect the large diversity of problems that can be tackled by MCTDH. The result is handbook and ready reference for theoretical chemists, physicists, chemists, graduate students, lecturers and software producers.
Table of Contents
| Introduction | |
| Theory | |
| Basic MCTDH theory | |
| Integration Schemes | |
| Improved Relaxation | |
| MCTDH for Density Operators | |
| Preparation of the Initial State | |
| Analysis of the Propagated Wave Packet | |
| Potential Representations | |
| Kinetic Energy Operators | |
| NEW AREAS | |
| Direct Dynamics | |
| Multi-Layer Formalism | |
| Parallelisation | |
| MCTDHF (MCTDH for Fermions) | |
| MCTDHB (MCTDH for Bosons) | |
| APPLICATIONS | |
| Vibronic Coupling | |
| Effective Mode Formalism | |
| Surface Scattering | |
| Reactive Scattering | |
| Internal Vibrational Energy Redistribution (IVR) | |
| Proton Transfer | |
| Laser Driven Dynamics | |
| Dissociative Attachment | |
| Small Bosonic Systems | |
| Table of Contents provided by Publisher. All Rights Reserved. |
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