Viraht Sahni
Springer Berlin Heidelberg
0e druk, 2010
9783642074196
Quantal Density Functional Theory
Specificaties
Paperback, 256 blz.
|
Engels
Springer Berlin Heidelberg |
0e druk, 2010
ISBN13: 9783642074196
Rubricering
Verwachte levertijd ongeveer 8 werkdagen
Samenvatting
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
Specificaties
ISBN13:9783642074196
Taal:Engels
Bindwijze:paperback
Aantal pagina's:256
Uitgever:Springer Berlin Heidelberg
Druk:0
Inhoudsopgave
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.