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...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Schwerdtfeger, Peter
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam : Elsevier Science, 2002-
Edición:1st ed.
Colección:Theoretical and computational chemistry ; 11.
Temas:
Quantum chemistry.
Electronic structure.
Relativistic quantum theory.
Chimie quantique.
Structure �electronique.
Th�eorie quantique relativiste.
Electronic structure
Quantum chemistry
Relativistic quantum theory
Acceso en línea:Texto completo
Texto completo
Tabla de Contenidos:
  • 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.

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