Quantal Density Functional Theory II

1. Front Matter

   Pages i-xviii

   PDF

2. Introduction

   • Viraht Sahni

   Pages 1-13

3. Schrödinger Theory from a “Newtonian” Perspective

   • Viraht Sahni

   Pages 15-33

4. Quantal Density Functional Theory

   • Viraht Sahni

   Pages 35-51

5. New Perspectives on Hohenberg–Kohn–Sham Density Functional Theory

   • Viraht Sahni

   Pages 53-72

6. Nonuniqueness of the Effective Potential Energy and Wave Function in Quantal Density Functional Theory

   • Viraht Sahni

   Pages 73-97

7. Ad Hoc Approximations Within Quantal Density Functional Theory

   • Viraht Sahni

   Pages 99-124

8. Analytical Asymptotic Structure in the Classically Forbidden Region of Atoms

   • Viraht Sahni

   Pages 125-140

9. Analytical Asymptotic Structure At and Near the Nucleus of Atoms

   • Viraht Sahni

   Pages 141-166

10. Application of the Q-DFT Hartree Uncorrelated Approximation to Atoms

    • Viraht Sahni

    Pages 167-186

11. Application of the Q-DFT Pauli Correlated Approximation to Atoms and Negative Ions

    • Viraht Sahni

    Pages 187-220

12. Quantal Density Functional Theory of the Density Amplitude: Application to Atoms

    • Viraht Sahni

    Pages 221-233

13. Application of the Irrotational Component Approximation to Nonspherical Density Atoms

    • Viraht Sahni

    Pages 235-248

14. Application of Q-DFT to Atoms in Excited States

    • Viraht Sahni

    Pages 249-262

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

    • Viraht Sahni

    Pages 263-274

16. Application of the Q-DFT Fully Correlated Approximation to the Helium Atom

    • Viraht Sahni

    Pages 275-288

17. Application of the Q-DFT Fully Correlated Approximation to the Hydrogen Molecule

    • Viraht Sahni

    Pages 289-302

18. Application of Q-DFT to the Metal–Vacuum Interface

    • Viraht Sahni

    Pages 303-353

19. Many-Body and Pseudo Møller-Plesset Perturbation Theory within Quantal Density Functional Theory

    • Viraht Sahni

    Pages 355-371

20. Epilogue

    • Viraht Sahni

    Pages 373-374

In my original proposal to Springer for a book on Quantal Density Functional Theory, I had envisaged one that was as complete in its presentation as possible, describing the basic theory as well as the approximation methods and a host of applications. However,after workingon the bookforabout ?ve years, I realizedthat the goal was too ambitious, and that I would be writing for another ?ve years for it to be achieved. Fortunately,there was a natural breakin the material, and I proposed to my editor, Dr. Claus Ascheron, that we split the book into two components: the ?rst on the basic theoretical framework, and the second on approximation methods and applications. Dr. Ascheron consented, and I am thankful to him for agreeing to do so. Hence, we published Quantal Density Functional Theory in 2004, and are now publishing Quantal Density Functional Theory II: Approximation Methods and Applications. One signi?cant advantage of this, as it turns out, is that I have been able to incorporate in each volume the most recent understandings available. This volume, like the earlier one, is aimed at advanced undergraduates in physics and chemistry, graduate students and researchers in the ?eld. It is written in the same pedagogical style with details of all proofs and numerous ?gures provided to explain the physics. The book is independent of the ?rst volume and stands on its own. However, proofs given in the ?rst volume are not repeated here.

• Atom
• Atomic physics
• Condensed matter physics
• Density functional theory
• Molecular physics
• Quantum physics
• theory

From the reviews:

“QDFT II possesses an even greater expansiveness and richness of explanation that many readers will find very agreeable. … This book could serve two readerships. One would clearly be serious students and practitioners of density functional theories because QDFT II is replete with fresh ideas … . The other type of readership could very well be beginning students of the subject. … I recommended this volume to anyone with interests in or curiosities about density functional theories.” (Steven M. Valone, Journal of the American Chemical Society, Vol. 132 (32), 2010)

• Brooklyn College, City University of New York, Brooklyn, USA

  Viraht Sahni

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