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Density-functional theory of atoms and molecules /

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of t...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Parr, Robert G., 1921-2017
Otros Autores: Yang, Weitao
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New York : Oxford [England] : Oxford University Press ; Clarendon Press, 1989.
Colección:International series of monographs on chemistry ; 16.
Temas:
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 1. Elementary Wave Mechanics
  • 2. Density Matrices
  • 3. Density-Functional Theory
  • 4. The Chemical Potential
  • 5. Chemical Potential Derivatives
  • 6. Thomas-Fermi and Related Models
  • 7. The Kohn-Sham Method: Basic Principles
  • 8. The Kohn-Sham Method: Elaboration
  • 9. Extensions
  • 10. Aspects of Atoms and Molecules
  • 11. Miscellany.