Relativistic Electronic Structure Theory - Fundamentals

Relativistic Electronic Structure Theory - Fundamentals, 1st Edition

Relativistic Electronic Structure Theory - Fundamentals, 1st Edition,Peter Schwerdtfeger,ISBN9780444512499

P Schwerdtfeger   

Elsevier Science




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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


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.


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

Peter Schwerdtfeger

Affiliations and Expertise

University of Auckland, New Zealand

Relativistic Electronic Structure Theory - Fundamentals, 1st Edition

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
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