Quantal Density Functional Theory II Approximation Methods and Applications /
This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclu...
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| Format: | Electronic |
| Language: | English |
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Berlin, Heidelberg :
Springer Berlin Heidelberg,
2009.
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| Online Access: | https://ezaccess.library.uitm.edu.my/login?url=http://dx.doi.org/10.1007/978-3-540-92229-2 |
Table of Contents:
- 1. Introduction
- 2. Schrd̲inger Theory from a <U+0018>Newtonian<U+0019> Perspective
- 3. Quantal Density Functional Theory
- 4. New Perspectives on Hohenberg-Kohn-Sham Density Functional Theory
- 5. Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional Theory
- 6. Ad Hoc Approximations within Quantal Density Functional Theory
- 7. Analytical Asymptotic Structure in the Classically Forbidden Region of Atoms
- 8. Analytical Asymptotic Structure at and Near the Nucleus of Atoms
- 9. Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms
- 10. Application of the Q-DFT Pauli Correlated Approximation to Atoms and Negative Ions
- 11. Quantal Density Functional Theory of the Density Amplitude
- 12. Application of the Irrotational Component Approximation to Nonspherical Density Atoms
- 13. Application of Q-DFT to Atoms in Excited States
- 14. Application of the Multi-Component Q-DFT Pauli Approximation to the Anion-Positron Complex
- 15. Application of the Q-DFT Fully-Correlated Approximation to the Helium Atom
- 16. Application of the Q-DFT Fully-Correlated Approximation to the Hydrogen Molecule
- 17. Application of Q-DFT to the Metal-Vacuum Interface
- 18. Many-Body and Pseudo Ml̜ler-Plesset Perturbation Theory within Quantal Density Functional Theory
- 19. Epilogue.