Electron Correlations in Molecules and Solids [E-Book] / by P. Fulde.
Fulde, P., (author)
Third, Enlarged Edition.
Berlin, Heidelberg : Springer, 1995
XIV, 483 p. 7 illus. online resource.
englisch
9783642578090
10.1007/978-3-642-57809-0
Springer Series in Solid-State Sciences ; 100
Full Text
Table of Contents:
  • 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.