Kurzbeschreibung The first book dedicated to this powerful method begins with an in-depth description of MCTDH and its theoretical background. There then follows a discussion of recent additions to the field, leading to a look at the wide range of applications that use MCTDH for problem-solving.
Aus dem Inhalt 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
