Quantal Density Functional Theory
(Sprache: Englisch)
Density functional theory is an important and widely used tool in many-body physics that has found applications in atomic, molecular, solid-state and nuclear physics. It is used principally to determine the electronic structure of these complex systems....
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Produktinformationen zu „Quantal Density Functional Theory “
Density functional theory is an important and widely used tool in many-body physics that has found applications in atomic, molecular, solid-state and nuclear physics. It is used principally to determine the electronic structure of these complex systems. Sahni has developed a new approach, termed quantal density functional theory, which simplifies the process of solving the computational problem and at the same time, gives insight into the underlying quantum mechanics. Further, the book describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT
Klappentext zu „Quantal Density Functional Theory “
Density functional theory is an important and widely used tool in many-body physics that has found applications in atomic, molecular, solid-state and nuclear physics. It is used principally to determine the electronic structure of these complex systems. Sahni has developed a new approach, termed quantal density functional theory, which simplifies the process of solving the computational problem and at the same time, gives insight into the underlying quantum mechanics. Further, the book describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT
Inhaltsverzeichnis zu „Quantal Density Functional Theory “
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.
Bibliographische Angaben
- Autor: V. Sahni
- 2004, 272 Seiten, Maße: 15,5 x 23,5 cm, Gebunden, Englisch
- Verlag: Springer, Berlin
- ISBN-10: 3540408843
- ISBN-13: 9783540408840
- Erscheinungsdatum: 13.01.2004
Sprache:
Englisch
Rezension zu „Quantal Density Functional Theory “
"Gives physical insight because it renders the many-fermion problem in as close to a classical mechanical and electrodynamical form as can be imagined... It is an interesting, unconventional, and useful contribution to the DFT literature. "
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