Table of contents

  1. Front Matter
    Pages i-xvii
  2. Introduction to Relativistic Quantum Chemistry

    1. Front Matter
      Pages 1-1
    2. Jacek Karwowski
      Pages 3-49
    3. Christoph van Wüllen
      Pages 107-127
  3. Introduction to Quantum Electrodynamics

    1. Front Matter
      Pages 129-129
    2. Paul Indelicato, Peter J. Mohr
      Pages 131-241
    3. Anton N. Artemyev
      Pages 243-265
    4. Anton N. Artemyev
      Pages 267-285
    5. Anton N. Artemyev
      Pages 287-312
    6. Ingvar Lindgren, Paul Indelicato
      Pages 313-341
  4. Relativistic Hamiltonians

    1. Front Matter
      Pages 343-343
    2. Wenjian Liu
      Pages 345-373
    3. Zhendong Li, Wenjian Liu
      Pages 411-447
    4. Michael Dolg
      Pages 449-478
  5. Relativistic Wave Functions and Density Functionals

    1. Front Matter
      Pages 479-479
    2. Sihong Shao, Zhendong Li, Wenjian Liu
      Pages 481-496
    3. Sihong Shao, Zhendong Li, Wenjian Liu
      Pages 497-530
    4. Wenjian Liu, Sihong Shao, Zhendong Li
      Pages 531-545
    5. Eberhard Engel
      Pages 547-578
  6. Relativistic Quantum Chemical Methods and Applications

    1. Front Matter
      Pages 579-579
    2. Bhanu P. Das, Malaya Kumar Nayak, Minori Abe, V. S. Prasannaa
      Pages 581-609
    3. Bijaya Kumar Sahoo
      Pages 611-655
    4. Yunlong Xiao, Wenjian Liu, Jochen Autschbach
      Pages 657-692
    5. Yunlong Xiao, Wenjian Liu, Kenneth Ruud
      Pages 693-723
    6. Ephraim Eliav, Anastasia Borschevsky, Uzi Kaldor
      Pages 825-855
  7. Back Matter
    Pages 901-907

About this book


This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? – just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the “Handbook of Computational Chemistry”. Generally speaking, it aims to establish the ‘big picture’ of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.


Quantum Electrodynamics Relativistic Computations and Applications Relativistic Hamiltonians Relativistic Properties Relativistic Wave Functions

Editors and affiliations

  • Wenjian Liu
    • 1
  1. 1.Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and ApplicationsCollege of Chemistry and Molecular Engineering and Center for Computational Science and Engineering, Peking UniversityBeijingChina

Bibliographic information

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