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  • Reference work
  • © 2017

Handbook of Relativistic Quantum Chemistry

Editors:

  • Comprehensive discussions on relativistic many-electron Hamiltonians

  • Detailed discussions on the symmetries and analytical structures of relativistic wave functions

  • Comprehensive review of existing and new scenarios for solving relativistic quantum mechanical equations

  • Rigorous formulations of relativistic electric and magnetic properties

  • Self-contained and clear descriptions of underlying assumptions, principles, and methodologies

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Table of contents (27 entries)

  1. Front Matter

    Pages i-xvii
  2. Introduction to Relativistic Quantum Chemistry

    1. Front Matter

      Pages 1-1
    2. Dirac Operator and Its Properties

      • Jacek Karwowski
      Pages 3-49
    3. Relativistic Self-Consistent Fields

      • Christoph van Wüllen
      Pages 107-127
  3. Introduction to Quantum Electrodynamics

    1. Front Matter

      Pages 129-129
    2. Introduction to Bound-State Quantum Electrodynamics

      • Paul Indelicato, Peter J. Mohr
      Pages 131-241
    3. QED Effects and Challenges

      • Anton N. Artemyev
      Pages 243-265
    4. Effective QED Hamiltonians

      • Anton N. Artemyev
      Pages 267-285
    5. Two-Time Greens Function Method

      • Anton N. Artemyev
      Pages 287-312
    6. Unifying Many-Body Perturbation Theory with Quantum Electrodynamics

      • Ingvar Lindgren, Paul Indelicato
      Pages 313-341
  4. Relativistic Hamiltonians

    1. Front Matter

      Pages 343-343
    2. With-Pair Relativistic Hamiltonians

      • Wenjian Liu
      Pages 345-373
    3. Spin Separation of Relativistic Hamiltonians

      • Zhendong Li, Wenjian Liu
      Pages 411-447
    4. Relativistic Effective Core Potentials

      • Michael Dolg
      Pages 449-478
  5. Relativistic Wave Functions and Density Functionals

    1. Front Matter

      Pages 479-479
    2. Basic Structures of RelativisticWave Functions

      • Sihong Shao, Zhendong Li, Wenjian Liu
      Pages 481-496

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.

Reviews

“This is a comprehensive handbook and reference on relativistic and classical quantum mechanics of about 900 pages. … The text has detailed 1000 or more literature references in major physics journals. I recommend this book to all physicists and quantum chemists.” (Joseph Grenier, Amazon.com, November, 2017)

Editors and Affiliations

  • Beijing National Laboratory for Molecular Sciences, Institute of Theoretical and Computational Chemistry, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering and Center for Computational Science and Engineering, Peking University, Beijing, China

    Wenjian Liu

About the editor

Wenjian Liu obtained his PhD in 1995 at Peking University and then carried out 6-year postdoctoral research in Germany. He was promoted to a full professor and became a Cheung Kong Scholar in 2001. Prof. Liu has been developing relativistic quantum mechanical theories and methods for the chemistry and physics of systems containing heavy elements, including several relativistic many-electron Hamiltonians (effective QED, Q4C, X2C, and sf-X2C+sd-DKHn), several variants of 4C/X2C NMR/NSR theories, relativistic/spin-adapted open-shell/linear-scaling TD-DFT, as well as a general framework for relativistic explicitly correlated methods. He was elected as a member of International Academy of Quantum Molecular Science in 2014, and was elected to be the chairman for the 9th International Conference on Relativistic Effects in Heavy-Element Chemistry and Physics.  Prof. Liu has been awarded a number of distinguished prizes, including the annual medal of International Academy of Quantum Molecular Science, the Pople Medal of Asia-Pacific Association of Theoretical and Computational Chemists, and the Bessel Research Award of Alexander von Humboldt Foundation. He is the Editorial Board Member of Chemical Physics, Molecular Physics, International Journal of Quantum Chemistry, Journal of Theoretical and Computational Chemistry, Interdisciplinary Sciences: Computational Life Sciences, and ActaPhysico-ChimicaSinica.

Bibliographic Information

Buy it now

Buying options

eBook USD 599.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Hardcover Book USD 699.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access