Multidimensional Quantum DynamicsISBN: 978-3-527-32018-9
Hardcover
442 pages
May 2009
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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
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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