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Multidimensional Quantum Dynamics: MCTDH Theory and Applications

Multidimensional Quantum Dynamics: MCTDH Theory and Applications

          
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About the Book

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 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


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Product Details
  • ISBN-13: 9783527320189
  • Publisher: Wiley-VCH Verlag GmbH
  • Publisher Imprint: Blackwell Verlag GmbH
  • Depth: 32
  • Language: English
  • Returnable: N
  • Spine Width: 27 mm
  • Weight: 957 gr
  • ISBN-10: 3527320180
  • Publisher Date: 15 Apr 2009
  • Binding: Hardback
  • Height: 246 mm
  • No of Pages: 442
  • Series Title: English
  • Sub Title: MCTDH Theory and Applications
  • Width: 178 mm


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