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Sahni, Viraht

Quantal Density Functional Theory II

Sahni, Viraht - Quantal Density Functional Theory II, ebook

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ISBN: 9783540922292
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Table of contents

1. Introduction
Viraht Sahni

2. Schrödinger Theory from a “Newtonian” Perspective
Viraht Sahni

3. Quantal Density Functional Theory
Viraht Sahni

4. New Perspectives on Hohenberg–Kohn–Sham Density Functional Theory
Viraht Sahni

5. Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional Theory
Viraht Sahni

6.
Ad Hoc Approximations Within Quantal Density Functional Theory
Viraht Sahni

7. Analytical Asymptotic Structure in the Classically Forbidden Region of Atoms
Viraht Sahni

8. Analytical Asymptotic Structure At and Near the Nucleus of Atoms
Viraht Sahni

9. Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms
Viraht Sahni

10. Application of the Q-DFT Pauli Correlated Approximation to Atoms and Negative Ions
Viraht Sahni

11. Quantal Density Functional Theory of the Density Amplitude: Application to Atoms
Viraht Sahni

12. Application of the Irrotational Component Approximation to Nonspherical Density Atoms
Viraht Sahni

13. Application of Q-DFT to Atoms in Excited States
Viraht Sahni

14. Application of the Multi-Component Q-DFT Pauli Approximation to the Anion–Positron Complex: Energies, Positron and Positronium Affinities
Viraht Sahni

15. Application of the Q-DFT Fully Correlated Approximation to the Helium Atom
Viraht Sahni

16. Application of the Q-DFT Fully Correlated Approximation to the Hydrogen Molecule
Viraht Sahni

17. Application of Q-DFT to the Metal–Vacuum Interface
Viraht Sahni

18. Many-Body and Pseudo Møller-Plesset Perturbation Theory within Quantal Density Functional Theory
Viraht Sahni

19. Epilogue
Viraht Sahni

Keywords: Physics, Theoretical, Mathematical and Computational Physics, Math. Applications in Chemistry, Surfaces and Interfaces, Thin Films

Author(s)
Publisher
Springer
Publication year
2009
Language
en
Edition
1
Category
Natural Sciences
Format
Ebook
eISBN (PDF)
9783540922292

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