Electron Correlations in Molecules and Solids [E-Book] / by P. Fulde.
Electron Correlations in Molecules and Solids bridges the gap between quantum chemistry and solid-state theory. In the first half of the text new concepts are developed for treating many-body and correlation effects, combining standard quantum chemical methods with projection techniques, Greens-func...
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Full text |
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Personal Name(s): | Fulde, P., author |
Edition: |
Third, Enlarged Edition. |
Imprint: |
Berlin, Heidelberg :
Springer,
1995
|
Physical Description: |
XIV, 483 p. 7 illus. online resource. |
Note: |
englisch |
ISBN: |
9783642578090 |
DOI: |
10.1007/978-3-642-57809-0 |
Series Title: |
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Springer Series in Solid-State Sciences ;
100 |
Subject (LOC): |
- 1. Introduction
- 2. The Independent-Electron Approximation
- 2.1 Starting Hamiltonian
- 2.2 Basis Functions and Basis Sets
- 2.3 Self-Consistent Field Approximation
- 2.4 Simplified SCF Calculational Schemes
- 2.5 Koopmans’ Theorem
- 2.6 Homogeneous Electron Gas
- 2.7 Local Exchange Potential — The Xa Method
- 2.8 Shortcomings of the Independent-Electron Approximation
- 2.9 Unrestricted SCF Approximation
- 3. Density Functional Theory
- 3.1 Thomas-Fermi Method
- 3.2 Hohenberg-Kohn-Sham Theory
- 3.3 Local-Density Approximation
- 3.4 Results for Atoms, Molecules, and Solids
- 3.5 Extensions and Limitations
- 4. Quantum-Chemical Approach to Electron Correlations
- 4.1 Configuration Interactions
- 4.2 Many-Body Perturbation Theory
- 5. Cumulants, Partitioning, and Projections
- 5.1 Cumulant Representation
- 5.2 Projection and Partitioning Techniques
- 5.3 Coupled-Cluster Method
- 5.4 Comparison with Various Trial Wavefunctions
- 5.5 Simplified Correlation Calculations
- 6. Excited States
- 6.1 CI Calculations and Basis Set Requirements
- 6.2 Excitation Energies in Terms of Cumulants
- 6.3 Green’s Function Method
- 6.4 Local Operators
- 7. Finite-Temperature Techniques
- 7.1 Approximations for Thermodynamic Quantities
- 7.2 Functional-Integral Method
- 7.3 Monte Carlo Methods
- 8. Correlations in Atoms and Molecules
- 8.1 Atoms
- 8.2 Hydrocarbon Molecules
- 8.3 Molecules Consisting of First-Row Atoms
- 8.4 Strength of Correlations in Different Bonds
- 8.5 Polymers
- 8.6 Photoionization Spectra
- 9. Semiconductors and Insulators
- 9.1 Ground-State Correlations
- 9.2 Excited States
- 10. Homogeneous Metallic Systems
- 10.1 Fermi-Liquid Approach
- 10.2 Charge Screening and the Random-Phase Approximation
- 10.3 Spin Fluctuations
- 11. Transition Metals
- 11.1 Correlated Ground State
- 11.2 Excited States
- 11.3 Finite Temperatures
- 12. Strongly Correlated Electrons
- 12.1 Molecules
- 12.2 Anderson Hamiltonian
- 12.3 Effective Exchange Hamiltonian
- 12.4 Magnetic Impurity in a Lattice of Strongly Correlated Electrons
- 12.5 Hubbard Hamiltonian
- 12.6 The t — J Model
- 12.7 Slave Bosons in the Mean-Field Approximation
- 12.8 Kanamori’s t-Matrix Approach
- 13. Heavy-Fermion Systems
- 13.1 The Fermi Surface and Quasiparticle Excitations
- 13.2 Model Hamiltonian and Slave Bosons
- 13.3 Application of the Noncrossing Approximation
- 13.4 Variational Wavefunctions
- 13.5 Quasiparticle Interactions
- 13.6 Quasiparticle-Phonon Interactions Based on Strong Correlations
- 14. Superconductivity and the High-Tc Materials
- 14.1 The Superconducting State
- 14.2 Electronic Properties of the High-Tc Materials
- 14.3 Other Properties of the Cuprates
- 14.4 Heavy Fermions in Nd2_xCexCuO4
- B. Derivation of Several Relations Involving Cumulants
- C. Projection Method of Mori and Zwanzig
- D. Cross-Over from Weak to Strong Correlations
- E. Derivation of a General Form for ??)
- F. Hund’s Rule Correlations
- G. Cumulant Representation of Expectation Values and Correlation Functions
- H. Diagrammatic Representation of Certain Expectation Values
- I. Derivation of the Quasiparticle Equation
- J. Coherent-Potential Approximation
- K. Derivation of the NCA Equations
- L. Ground-State Energy of a Heisenberg Antiferromagnet on a Square Lattice
- M. The Lanczos Method
- References.