ENGLISH

Multidimensional quantum dynamics: MCTDH theory and applications

By Hans-Dieter , Worth , Graham; Gatti , Fabien; Meyer

Book information

Publisher
Wiley-VCH
Year
2009
ISBN
9781282139893, 1282139894, 9783527627400, 3527627405, 9783527627417, 3527627413, 978-0-471-46244-6, 978-3-527-31773-8, 978-3-527-31568-0, 978-3-527-31410-2, 978-3-527-30748-7, 978-0-470-09182-1, 978-3-527-32018-9
Language
english
Format
PDF
Filesize
7 MB (6856233 bytes)
Pages
419\444
Library
kolxo3
Time added
2019-04-25 18:00:00
MCTDH.;Quantum theory.;SCIENCE -- Physics -- Quant

Description

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... 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.

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