Electron Correlations in Molecules and Solids

Author:   Peter Fulde
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Edition:   3rd enlarged ed. 1995
Volume:   100
ISBN:  

9783540593645


Pages:   483
Publication Date:   09 October 1995
Format:   Paperback
Availability:   In Print   Availability explained
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Electron Correlations in Molecules and Solids


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Author:   Peter Fulde
Publisher:   Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Imprint:   Springer-Verlag Berlin and Heidelberg GmbH & Co. K
Edition:   3rd enlarged ed. 1995
Volume:   100
Dimensions:   Width: 15.50cm , Height: 2.50cm , Length: 23.50cm
Weight:   1.530kg
ISBN:  

9783540593645


ISBN 10:   3540593640
Pages:   483
Publication Date:   09 October 1995
Audience:   College/higher education ,  Professional and scholarly ,  Postgraduate, Research & Scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   In Print   Availability explained
This item will be ordered in for you from one of our suppliers. Upon receipt, we will promptly dispatch it out to you. For in store availability, please contact us.

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 CorrelatedGround 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.

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