Density Functional Theory of Molecules, Clusters, and Solids

Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which of...

Full description

Bibliographic Details
Other Authors: Ellis, D.E. (Editor)
Format: eBook
Language:English
Published: Dordrecht Springer Netherlands 1996, 1996
Edition:1st ed. 1996
Series:Understanding Chemical Reactivity
Subjects:
Online Access:
Collection: Springer Book Archives -2004 - Collection details see MPG.ReNa
Table of Contents:
  • 1. Fermi Holes and Coulomb Holes
  • 2. Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications
  • 3. The Application of Nonlocal and Self-Consistent Density Functional Theory to Molecular Problems
  • 4. Density Functional Calculations on Special Clusters
  • 5. Clusters and Cluster Reactions
  • 6. LDF Electronic Structure of Fullerene Tubules
  • 7. Electronic Structure of Solid-State Systems Via the Divide-and-Conquer Method
  • 8. Local Density Calculation of the Optical Properties of Insulators
  • 9. Defect Structure of Solids
  • 10. Embedded Clusters: A Viable Approach for Surfaces and Impurities