Relativistic Electronic Structure Theory - Fundamentals

Relativistic Electronic Structure Theory - Fundamentals

1st Edition - November 22, 2002

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  • Editor: Peter Schwerdtfeger
  • Hardcover ISBN: 9780444512499
  • eBook ISBN: 9780080540467

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Description

The first volume of this two part series is concerned with the fundamental aspects of relativistic quantum theory, outlining the enormous progress made in the last twenty years in this field. The aim was to create a book such that researchers who become interested in this exciting new field find it useful as a textbook, and do not have to rely on a rather large number of specialized papers published in this area.

Key Features

· No title is currently available that deals with new developments in relativistic quantum electronic structure theory
· Interesting and relevant to graduate students in chemistry and physics as well as to all researchers in the field of quantum chemistry
· As treatment of heavy elements becomes more important, there will be a constant demand for this title

Readership

Chemistry and physics departments; chemical companies and other companies involved in heavy element research.

Table of Contents

  • Chapter 1. Tour Historique
    Chapter 2. The Dirac Operator
    Chapter 3. Relativistic Self-Consistent Fields
    Chapter 4. Nuclear Charge Density Distributions in Quantum Chemistry
    Chapter 5. Basis Sets for Relativistic Calculations
    Chapter 6. Post Dirac-Fock-Methods - Electron Correlation
    Chapter 7. Post Dirac-Fock-Methods - Properties
    Chapter 8. QED Theory of Atoms
    Chapter 9. Parity Violation
    Chapter 10. Relativistic Density Functional Theory: Foundations and Basic Formalism
    Chapter 11. Two-Component Methods and the Generalized Douglas-Kroll Transformation
    Chapter 12. Perturbation Theory of Relativistic Effects
    Chapter 13. Perturbation Theory Based on Quasi-Relativistic Hamiltonians
    Chapter 14. Relativistic Effective Core Potentials
    Chapter 15. Relativistic Solid State Theory

Product details

  • No. of pages: 946
  • Language: English
  • Copyright: © Elsevier Science 2002
  • Published: November 22, 2002
  • Imprint: Elsevier Science
  • Hardcover ISBN: 9780444512499
  • eBook ISBN: 9780080540467

About the Series Volume Editor

Peter Schwerdtfeger

Affiliations and Expertise

University of Auckland, New Zealand

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