Relativistic electronic structure theory
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.·No title is currently available that deals with new developments in relativistic q…
Read More ↓Title Statements
- Full title :Relativistic electronic structure theory. / edited by Peter Schwerdtfeger, Department of Chemistry, the University of Auckland, Private Bag 92019, Auckland, New Zealand.
Summary
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.·No title is currently available that deals with new developments in relativistic quantum electronic structure theory·Interesting and relevant to graduate students in chemi.
Read More ↓Edition Statements
- Publication Date:2002.
- Edition:First edition
Publication Statements
- Publisher(s):Elsevier
- Place of Publication:Amsterdam
- Language:eng
- Publication Date:2002.
The Physical Object
- Description:1 online resource (947 pages) : : illustrations.
Edition Identifiers
- ISBN:9780080540467, 0080540465
- oclc:on1035657634
- LC Classification:QD462
- Dewey Decimal:541.28
Table of Contents
Front Cover; Relativistic Electronic Structure Theory: Part 1. Fundamentals; Copyright Page; Preface; Table of Contents; Chapter 1. Tour Historique; 1. Introduction; 2. Dirac Equation; 3. Many Electron Systems; 4. Relativity and Atomic Structure; 5. Going to Molecules; 6. Conclusions; Chapter 2. The Dirac Operator; 1. Introduction; 2. Introducing the Dirac Equation; 3. State Space and Interpretation; 4. Solving the Dirac Equation; 5. Useful Subspaces; 6. Relativistic Observables; 7. Electron-Positron Interpretation; 8. Relativistic Invariance; 9. Classification of External Fields
10. Properties of Dirac Operators11. Short Description of the Nonrelativistic Limit; 12. Spherical Symmetry; 13. The Hydrogen Atom; 14. Summary; Chapter 3. Relativistic Self-consistent Fields; 1. Introduction; 2. Foundations; 3. Finite Matrix Methods for Dirac Hamiltonians; 4. DHFB Theory for Atoms; 5. DHFB Theory for Molecules; 6. Implementation: the Bertha Code; 7. Open Shells: MCDF Theory; 8. Survey of Relativistic Mean Field Calculations; 9. Conclusions; Chapter 4. Nuclear Charge Density Distributions in Quantum Chemistry; 1. Introduction; 2. Nuclear Structure
3. Nuclear Charge Density Distributions…
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