Relativistic electronic structure theory
Başlık:
Relativistic electronic structure theory
Yazar:
Schwerdtfeger, Peter.
ISBN:
9780444512499
Basım Bilgisi:
1st ed.
Yayın Bilgileri:
Amsterdam : Elsevier Science, 2002-
Fiziksel Tanımlama:
v. <1 > : ill. ; 25 cm.
Seri:
Theoretical and computational chemistry ; v. 11
Seri Başlığı:
Theoretical and computational chemistry ; v. 11
İçerik:
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.
pt. 1. Fundamentals --
Özet:
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 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.
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