Multidimensional quantum dynamics: MCTDH theory and applications

✍ Scribed by Worth, Graham; Gatti, Fabien; Meyer, Hans-Dieter

• Publisher: Wiley-VCH
• Year: 2009
• Tongue: English
• Leaves: 444
• Category: Library

✦ Synopsis

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 so.  Read more...

Abstract:

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.  Read more...

✦ Table of Contents

Content: Multidimensional Quantum Dynamics
Contents
Preface
List of Contributors
List of Symbols
1 Introduction
Part 1 Theory
2 The Road to MCTDH
3 Basic MCTDH Theory
4 Integration Schemes
5 Preparation of the Initial Wavepacket
6 Analysis of the Propagated Wavepacket
7 MCTDH for Density Operator
8 Computing Eigenstates by Relaxation and Improved Relaxation
9 Iterative Diagonalization of Operators
10 Correlation Discrete Variable Representation
11 Potential Representations (potfit)
12 Kinetic Energy Operators
Part 2 Extension to New Areas
13 Direct Dynamics With Quantum Nuclei.

✦ Subjects

MCTDH.;Quantum theory.;SCIENCE -- Physics -- Quantum Theory.