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Density Functional Theory [[electronic resource] ] : An Approach to the Quantum Many-Body Problem / / by Reiner M. Dreizler, Eberhard K.U. Gross
| Density Functional Theory [[electronic resource] ] : An Approach to the Quantum Many-Body Problem / / by Reiner M. Dreizler, Eberhard K.U. Gross |
| Autore | Dreizler Reiner M |
| Edizione | [1st ed. 1990.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 |
| Descrizione fisica | 1 online resource (XI, 304 p.) |
| Disciplina | 530.1 |
| Soggetto topico |
Mathematical physics
Chemistry, Physical and theoretical Condensed matter Atoms Physics Quantum physics Theoretical, Mathematical and Computational Physics Theoretical and Computational Chemistry Condensed Matter Physics Atomic, Molecular, Optical and Plasma Physics Quantum Physics |
| ISBN | 3-642-86105-9 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Introduction -- 2. Basic Formalism for Stationary Non-Relativistic Systems -- 2.1 The Hohenberg-Kohn Theorem -- 2.2 Degenerate Groundstates -- 2.3 v-Representability and Related Questions -- 2.4 Fractional Particle Number, Chemical Potential, and Derivative Discontinuities -- 3. Extensions -- 3.1 Spin-Polarised Systems -- 3.2 Finite Temperature Ensembles -- 3.3 Multicomponent Systems -- 3.4 Hartree-Fock Limit -- 3.5 Excited States -- 3.6 Density Matrix Functionals -- 3.7 Momentum Space -- 3.8 Bose Systems -- 3.9 Superconducting Systems -- 4. The Kohn-Sham Scheme -- 4.1 The Basic Kohn-Sham Equations -- 4.2 Degenerate Kohn-Sham Groundstates and the Question of v-Representability -- 4.3 Spin-Polarised Systems -- 4.4 Fractional Occupation, Janak’s Theorem, and the Slater Transition State -- 4.5 Excited States: The Kohn-Sham Scheme for Ensembles -- 4.6 Schrödinger Equation for the Square Root of the Groundstate Density -- 4.7 Hellmann-Feynman, Virial, and Scaling Properties of Density Functionals -- 4.8 Single-Particle Equations for Superconductors: A Generalized Bogoliubov-deGennes Scheme -- 5. Explicit Functionals I: Kinetic and Exchange Energy Functionals Derived from the One-Particle Density Matrix -- 5.1 Density-Gradient Expansions from Semiclassical Expansions: A Survey -- 5.2 The Kirzhnits Method -- 5.3 The Wigner-Kirkwood Approach and Partial Resummation of the Gradient Expansion -- 5.4 Empirical Convergence Studies of the Gradient Expansion -- 5.5 Original von Weizsäcker Functional Versus Gradient Expansion -- 5.6 Padé Approximants and Other Parametrisations -- 5.7 Phase-Space Approach Based on Local Thermodynamics -- 5.8 The Classical Density Functional Models of Thomas, Fermi, Dirac, and von Weizsäcker -- 6. Many-Body Perturbation Theory -- 6.1 Diagrammatic Approach to the Inhomogeneous Electron Gas -- 6.2 The Exchange-Correlation Functional Expressed in Terms of the Irreducible Self-Energy -- 6.3 The Band Gap in Insulators and Semiconductors -- 6.4 The Fermi Surface in Metals -- 6.5 The Homogeneous Electron Gas -- 7. Explicit Functionals II: The Local Density Approximation and Beyond -- 7.1 The Local Density Approximation -- 7.2 Discussion of the Local Density Approximation -- 7.3 Nonlocal Density Schemes -- 7.4 Self-Interaction Corrections -- 7.5 Wave Vector Analysis -- 7.6 Gradient Corrections -- 7.7 Kohn-Sham Results for Atoms and Molecules -- 8. Density Functional Theory of Relativistic Systems -- 8.1 Introduction -- 8.2 Existence Theorems -- 8.3 Explicit Functionals I: The Relativistic Kirzhnits Expansion -- 8.4 The Homogeneous Relativistic Electron Gas -- 8.5 Explicit Functionals II: The Local Density Approximation -- 8.6 Remarks and Applications -- A. Definition of Density Matrices, Green’s Functions, and Correlation Functions -- B. Compilation of Literature on Atomic and Molecular Kohn-Sham Results -- References. |
| Record Nr. | UNINA-9910480390603321 |
Dreizler Reiner M
|
||
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Density Functional Theory [[electronic resource] ] : An Approach to the Quantum Many-Body Problem / / by Reiner M. Dreizler, Eberhard K.U. Gross
| Density Functional Theory [[electronic resource] ] : An Approach to the Quantum Many-Body Problem / / by Reiner M. Dreizler, Eberhard K.U. Gross |
| Autore | Dreizler Reiner M |
| Edizione | [1st ed. 1990.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 |
| Descrizione fisica | 1 online resource (XI, 304 p.) |
| Disciplina | 530.1 |
| Soggetto topico |
Mathematical physics
Chemistry, Physical and theoretical Condensed matter Atoms Physics Quantum physics Theoretical, Mathematical and Computational Physics Theoretical and Computational Chemistry Condensed Matter Physics Atomic, Molecular, Optical and Plasma Physics Quantum Physics |
| ISBN | 3-642-86105-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Introduction -- 2. Basic Formalism for Stationary Non-Relativistic Systems -- 2.1 The Hohenberg-Kohn Theorem -- 2.2 Degenerate Groundstates -- 2.3 v-Representability and Related Questions -- 2.4 Fractional Particle Number, Chemical Potential, and Derivative Discontinuities -- 3. Extensions -- 3.1 Spin-Polarised Systems -- 3.2 Finite Temperature Ensembles -- 3.3 Multicomponent Systems -- 3.4 Hartree-Fock Limit -- 3.5 Excited States -- 3.6 Density Matrix Functionals -- 3.7 Momentum Space -- 3.8 Bose Systems -- 3.9 Superconducting Systems -- 4. The Kohn-Sham Scheme -- 4.1 The Basic Kohn-Sham Equations -- 4.2 Degenerate Kohn-Sham Groundstates and the Question of v-Representability -- 4.3 Spin-Polarised Systems -- 4.4 Fractional Occupation, Janak’s Theorem, and the Slater Transition State -- 4.5 Excited States: The Kohn-Sham Scheme for Ensembles -- 4.6 Schrödinger Equation for the Square Root of the Groundstate Density -- 4.7 Hellmann-Feynman, Virial, and Scaling Properties of Density Functionals -- 4.8 Single-Particle Equations for Superconductors: A Generalized Bogoliubov-deGennes Scheme -- 5. Explicit Functionals I: Kinetic and Exchange Energy Functionals Derived from the One-Particle Density Matrix -- 5.1 Density-Gradient Expansions from Semiclassical Expansions: A Survey -- 5.2 The Kirzhnits Method -- 5.3 The Wigner-Kirkwood Approach and Partial Resummation of the Gradient Expansion -- 5.4 Empirical Convergence Studies of the Gradient Expansion -- 5.5 Original von Weizsäcker Functional Versus Gradient Expansion -- 5.6 Padé Approximants and Other Parametrisations -- 5.7 Phase-Space Approach Based on Local Thermodynamics -- 5.8 The Classical Density Functional Models of Thomas, Fermi, Dirac, and von Weizsäcker -- 6. Many-Body Perturbation Theory -- 6.1 Diagrammatic Approach to the Inhomogeneous Electron Gas -- 6.2 The Exchange-Correlation Functional Expressed in Terms of the Irreducible Self-Energy -- 6.3 The Band Gap in Insulators and Semiconductors -- 6.4 The Fermi Surface in Metals -- 6.5 The Homogeneous Electron Gas -- 7. Explicit Functionals II: The Local Density Approximation and Beyond -- 7.1 The Local Density Approximation -- 7.2 Discussion of the Local Density Approximation -- 7.3 Nonlocal Density Schemes -- 7.4 Self-Interaction Corrections -- 7.5 Wave Vector Analysis -- 7.6 Gradient Corrections -- 7.7 Kohn-Sham Results for Atoms and Molecules -- 8. Density Functional Theory of Relativistic Systems -- 8.1 Introduction -- 8.2 Existence Theorems -- 8.3 Explicit Functionals I: The Relativistic Kirzhnits Expansion -- 8.4 The Homogeneous Relativistic Electron Gas -- 8.5 Explicit Functionals II: The Local Density Approximation -- 8.6 Remarks and Applications -- A. Definition of Density Matrices, Green’s Functions, and Correlation Functions -- B. Compilation of Literature on Atomic and Molecular Kohn-Sham Results -- References. |
| Record Nr. | UNINA-9910789217703321 |
|
Dreizler Reiner M
|
||
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Density Functional Theory : An Approach to the Quantum Many-Body Problem / / by Reiner M. Dreizler, Eberhard K.U. Gross
| Density Functional Theory : An Approach to the Quantum Many-Body Problem / / by Reiner M. Dreizler, Eberhard K.U. Gross |
| Autore | Dreizler Reiner M |
| Edizione | [1st ed. 1990.] |
| Pubbl/distr/stampa | Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 |
| Descrizione fisica | 1 online resource (XI, 304 p.) |
| Disciplina | 530.1 |
| Soggetto topico |
Mathematical physics
Chemistry, Physical and theoretical Condensed matter Atoms Physics Quantum physics Theoretical, Mathematical and Computational Physics Theoretical and Computational Chemistry Condensed Matter Physics Atomic, Molecular, Optical and Plasma Physics Quantum Physics |
| ISBN | 3-642-86105-9 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | 1. Introduction -- 2. Basic Formalism for Stationary Non-Relativistic Systems -- 2.1 The Hohenberg-Kohn Theorem -- 2.2 Degenerate Groundstates -- 2.3 v-Representability and Related Questions -- 2.4 Fractional Particle Number, Chemical Potential, and Derivative Discontinuities -- 3. Extensions -- 3.1 Spin-Polarised Systems -- 3.2 Finite Temperature Ensembles -- 3.3 Multicomponent Systems -- 3.4 Hartree-Fock Limit -- 3.5 Excited States -- 3.6 Density Matrix Functionals -- 3.7 Momentum Space -- 3.8 Bose Systems -- 3.9 Superconducting Systems -- 4. The Kohn-Sham Scheme -- 4.1 The Basic Kohn-Sham Equations -- 4.2 Degenerate Kohn-Sham Groundstates and the Question of v-Representability -- 4.3 Spin-Polarised Systems -- 4.4 Fractional Occupation, Janak’s Theorem, and the Slater Transition State -- 4.5 Excited States: The Kohn-Sham Scheme for Ensembles -- 4.6 Schrödinger Equation for the Square Root of the Groundstate Density -- 4.7 Hellmann-Feynman, Virial, and Scaling Properties of Density Functionals -- 4.8 Single-Particle Equations for Superconductors: A Generalized Bogoliubov-deGennes Scheme -- 5. Explicit Functionals I: Kinetic and Exchange Energy Functionals Derived from the One-Particle Density Matrix -- 5.1 Density-Gradient Expansions from Semiclassical Expansions: A Survey -- 5.2 The Kirzhnits Method -- 5.3 The Wigner-Kirkwood Approach and Partial Resummation of the Gradient Expansion -- 5.4 Empirical Convergence Studies of the Gradient Expansion -- 5.5 Original von Weizsäcker Functional Versus Gradient Expansion -- 5.6 Padé Approximants and Other Parametrisations -- 5.7 Phase-Space Approach Based on Local Thermodynamics -- 5.8 The Classical Density Functional Models of Thomas, Fermi, Dirac, and von Weizsäcker -- 6. Many-Body Perturbation Theory -- 6.1 Diagrammatic Approach to the Inhomogeneous Electron Gas -- 6.2 The Exchange-Correlation Functional Expressed in Terms of the Irreducible Self-Energy -- 6.3 The Band Gap in Insulators and Semiconductors -- 6.4 The Fermi Surface in Metals -- 6.5 The Homogeneous Electron Gas -- 7. Explicit Functionals II: The Local Density Approximation and Beyond -- 7.1 The Local Density Approximation -- 7.2 Discussion of the Local Density Approximation -- 7.3 Nonlocal Density Schemes -- 7.4 Self-Interaction Corrections -- 7.5 Wave Vector Analysis -- 7.6 Gradient Corrections -- 7.7 Kohn-Sham Results for Atoms and Molecules -- 8. Density Functional Theory of Relativistic Systems -- 8.1 Introduction -- 8.2 Existence Theorems -- 8.3 Explicit Functionals I: The Relativistic Kirzhnits Expansion -- 8.4 The Homogeneous Relativistic Electron Gas -- 8.5 Explicit Functionals II: The Local Density Approximation -- 8.6 Remarks and Applications -- A. Definition of Density Matrices, Green’s Functions, and Correlation Functions -- B. Compilation of Literature on Atomic and Molecular Kohn-Sham Results -- References. |
| Record Nr. | UNINA-9910813436103321 |
|
Dreizler Reiner M
|
||
| Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 1990 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||