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Multidimensional quantum dynamics : MCTDH theory and applications

Author: Hans-Dieter Meyer; Fabien Gatti; Graham Worth
Publisher: Weinheim : Wiley-VCH ; Chichester, 2009.
Edition/Format:   Print book : EnglishView all editions and formats

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  Read more...


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Document Type: Book
All Authors / Contributors: Hans-Dieter Meyer; Fabien Gatti; Graham Worth
ISBN: 9783527320189 3527320180
OCLC Number: 295001065
Description: xxiii, 419 pages : illustrations ; 25 cm
Contents: Introduction THEORY The Road to MCTDH Basic MCTDH Theory Integration Schemes Preparation of the Initial Wavepacket Analysis of the Propagated Wave Packet MCTDH for Density Operators Computing Eigenstates by Relaxation and Improved Relaxation Iterative Diagonalzation of Operators Correlation Discrete Variable Represenation Potential Representations (potfit) Kinetic Energy Operators EXTENSION TO NEW AREAS Direct Dynamics with Quantum Nuclei Multilayer Formulation of the Multiconfiguration Time-Dependent Hartree Theory Shared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree Method Strongly Driven Few-Fermion Systems - MCTDHF The Multiconfigurational Time-Dependent Hartree Method for Identical Particles and Mixtures Thereof APPLICATIONS Multidimensional Non-Adiabatic Dynamics MCTDH Calculation of Flux Correlation Functions: Rates and Reaction Probabilities for Polyatomic Chemical Reactions Reactive and Non-Reactive Scattering of Molecules From Surfaces Intramolecular Vibrational Energy Redistribution and Infrared Spectroscopy Open System Quantum Dynamics with Discretized Environments Proton Transfer and Hydrated Proton in Small Water Systems Laser-Driven Dynamics and Quantum Control of Molecular Wavepackets Polyatomic Dynamics of Dissociative Electron Attachment to Water Using MCTDH Ultracold Few-Boson Systems in Traps
Responsibility: edited by Hans-Dieter Meyer, Fabien Gatti, Graham A. Worth.


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