Ebook: Quantal Density Functional Theory

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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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 Schr?dinger 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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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 Schr?dinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.
Content:
Front Matter....Pages I-XIV
Introduction....Pages 1-5
Schr?dinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources....Pages 7-47
Quantal Density Functional Theory....Pages 49-98
The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory....Pages 99-123
Physical Interpretation of Kohn-Sham Density Functional Theory....Pages 125-151
Quantal Density Functional Theory of the Density Amplitude....Pages 153-166
Quantal Density Functional Theory of the Discontinuity in the Electron-Interaction Potential Energy....Pages 167-186
Further Insights Derived Via Quantal Density Functional Theory....Pages 187-213
Epilogue....Pages 215-220
Back Matter....Pages 221-257

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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 Schr?dinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.
Content:
Front Matter....Pages I-XIV
Introduction....Pages 1-5
Schr?dinger Theory from the Perspective of ‘Classical’ Fields Derived from Quantal Sources....Pages 7-47
Quantal Density Functional Theory....Pages 49-98
The Hohenberg-Kohn Theorems and Kohn-Sham Density Functional Theory....Pages 99-123
Physical Interpretation of Kohn-Sham Density Functional Theory....Pages 125-151
Quantal Density Functional Theory of the Density Amplitude....Pages 153-166
Quantal Density Functional Theory of the Discontinuity in the Electron-Interaction Potential Energy....Pages 167-186
Further Insights Derived Via Quantal Density Functional Theory....Pages 187-213
Epilogue....Pages 215-220
Back Matter....Pages 221-257
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