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Electron Correlations in Molecules and Solids

Quantum chemistry and solid-state theory are two important related fields of research that have grown up with almost no cross communication. This book bridges the gap between the two. In the first half, new concepts for treating weak and strong correlations are developed, and standard quantum-chemic...

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Bibliographic Details
Main Author:	Fulde, Peter
Format:	eBook
Language:	English
Published:	Berlin, Heidelberg Springer Berlin Heidelberg 1991, 1991
Edition:	1st ed. 1991
Series:	Springer Series in Solid-State Sciences
Subjects:	Atoms Chemistry, Physical And Theoretical Engineering Atomic, Molecular And Chemical Physics Condensed Matter Physics Theoretical Chemistry Technology And Engineering Condensed Matter Molecules
Online Access:	https://doi.org/10.1007/978-3-642-97309-3?nosfx=y
Collection:	Springer Book Archives -2004 - Collection details see MPG.ReNa

Table of Contents:

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
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
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
14.3 2D Heisenberg Antiferromagnet
14.4 Electronic Excitations in the Cu-O Planes
Appendices

Electron Correlations in Molecules and Solids

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