Relativistic Electronic Structure Theory - Fundamentals

Edited by

  • Peter Schwerdtfeger, University of Auckland, New Zealand

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


Book information

  • Published: November 2002
  • Imprint: ELSEVIER
  • ISBN: 978-0-444-51249-9


The depth and scope of the book will make it intriguing to mathematically and computationally inclined readers.
Russell M. Pitzer, Ohio State University, Journal of the American Chemical Society, 2003

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