Quantal Density Functional Theory
By: by Viraht Sahni
Publisher: Springer Berlin Heidelberg
Published: 2004
Place of publication: Berlin, Heidelberg
Language: eng
Format: [electronic resource] /
Number of pages: 257
ISBN-13: 9783642074196; 9783662096246
Subjects: Physical organic chemistry; Quantum theory; Mathematical physics; Physics
Description: 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 representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further 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.
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Table of contents: title: Introduction; title: Schrödinger Theory from the Perspective of Classical Fields Derived from Quantal Sources; title: Quantal Density Functional Theory; title: The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory; title: Physical Interpretation of Kohn-Sham Density Functional Theory; title: Quantal Density Functional Theory of the Density Amplitude; title: Quantal Density Functional Theory of the Discontinuity in the Electron Interaction Potential Energy; title: Further Insights Derived Via Quantal Density Functional Theory; title: Epilogue; title: Appendices.