Handbook of Relativistic Quantum Chemistry

Editors: Liu, Wenjian (Ed.)

  • 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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About this Reference Work

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.

About the authors

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.

Table of contents (27 chapters)

  • Dirac Operator and Its Properties

    Karwowski, Jacek

    Pages 3-49

  • Nuclear Charge Density and Magnetization Distributions

    Andrae, Dirk

    Pages 51-81

  • One-Particle Basis Sets for Relativistic Calculations

    Dyall, Kenneth G.

    Pages 83-106

  • Relativistic Self-Consistent Fields

    Wüllen, Christoph

    Pages 107-127

  • Introduction to Bound-State Quantum Electrodynamics

    Indelicato, Paul (et al.)

    Pages 131-241

Buy this book

Print + eBook $899.00
price for USA
  • ISBN 978-3-642-40767-3
  • Free shipping for individuals worldwide
  • Online orders shipping within 2-3 days.
eReference $599.00
price for USA (gross)
  • ISBN 978-3-642-40766-6
  • Free shipping for individuals worldwide
Print $599.00
price for USA
  • ISBN 978-3-642-40765-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Handbook of Relativistic Quantum Chemistry
Editors
  • Wenjian Liu
Copyright
2017
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
Print + eBook ISBN
978-3-642-40767-3
eReference ISBN
978-3-642-40766-6
Print ISBN
978-3-642-40765-9
Edition Number
1
Number of Pages
XVII, 907
Number of Illustrations and Tables
95 b/w illustrations, 34 illustrations in colour
Topics