Quantal Density Functional Theory [E-Book] / by Viraht Sahni.
Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representativ...
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Full text |
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Personal Name(s): | Sahni, Viraht, author |
Imprint: |
Berlin, Heidelberg :
Springer,
2004
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Physical Description: |
XIV, 256 p. online resource. |
Note: |
englisch |
ISBN: |
9783662096246 |
DOI: |
10.1007/978-3-662-09624-6 |
Subject (LOC): |
- 1. Introduction
- 2. Schrödinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources
- 3. Quantal Density Functional Theory
- 4. The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory
- 5. Physical Interpretation of Kohn-Sham Density Functional Theory
- 6. Quantal Density Functional Theory of the Density Amplitude
- 7. Quantal Density Functional Theory of the Discontinuity in the Electron-Interaction Potential Energy
- 8. Further Insights Derived Via Quantal Density Functional Theory
- 9. Epilogue
- Appendices
- A. Proof of the Pure State Differential Virial Theorem
- B. Proof of the Harmonic Potential Theorem
- C. Analytical Expressions for the Properties of the Ground and First Excited Singlet States of the Hooke’s Atom
- D. Derivation of the Kinetic-Energy-Density Tensor for Hooke’s Atom in Its Ground State
- E. Proof of the S System Differential Virial Theorem
- F. Derivation of the Pair-Correlation Density in the Local Density Approximation for Exchange
- References.