Fulde Electron Correlations in Molecules and Solids

2. Auflage 1993
ISBN: 978-3-642-97477-9
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark

E-Book, Englisch, Band 100, 422 Seiten, eBook

Reihe: Springer Series in Solid-State Sciences

Quantum chemistry and solid-state theory are two important
related fields ofresearch that have grown up with almost no
cross communication. This book brdges the gap between the
two. In the first half, new concepts for treatingweak and
strong correlations are developed, and standard quantum
chemical methods as well as denisty functional integral, and
Monte Carlo methods are discussed. The second half discusses
applications of the theory to molecules, semiconductors,
homogeneous metallic systems, transition metals, and
strongly correlated systems such as heavy-fermion systems
and the new high-T superconducting materials.

Zielgruppe

Research

Autoren/Hrsg.

Fulde, Peter

Inhaltsverzeichnis

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 X? 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 Coupled-Cluster Methods.- 4.3 Many-Body Perturbation Theory.- 5. The Projection Technique and Use of Local Operators.- 5.1 The Projection Technique.- 5.2 Local Operators.- 5.3 Simplified Correlation Calculations.- 6. Excited States.- 6.1 CI Calculations and Basis Set Requirements.- 6.2 Green’s Function Method.- 6.3 Local Operators.- 7. Finite-Temperature-Techniques.- 7.1 The Statistical Operator.- 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 KondoEffect.- 12.3 Hubbard Hamiltonian.- 13. Heavy-Fermion Systems.- 13.1 The Fermi Surface and Quasiparticle Excitations.- 13.2 Model Hamiltonian and Slave Bosons.- 13.3 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 Structure of the High-Tc Materials.- 14.4 Electronic Excitations in the Cu-O Planes.- Appendices.- References.