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...
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| Format: | eBook |
| Language: | English |
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Dordrecht
Springer Netherlands
1996, 1996
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| Edition: | 1st ed. 1996 |
| Series: | Understanding Chemical Reactivity
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| 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