UID:
almahu_9949199331802882
Umfang:
XIV, 483 p. 7 illus.
,
online resource.
Ausgabe:
3rd ed. 1995.
ISBN:
9783642578090
Serie:
Springer Series in Solid-State Sciences, 100
Inhalt:
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-function methods and Monto-Carlo techniques. The second half deals with applications of the theory to molecules, semiconductors, transition metals, heavy fermion systems, and the new high-Tc superconducting materials.
Anmerkung:
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.
In:
Springer Nature eBook
Weitere Ausg.:
Printed edition: ISBN 9783540593645
Weitere Ausg.:
Printed edition: ISBN 9783642578106
Sprache:
Englisch
DOI:
10.1007/978-3-642-57809-0
URL:
https://doi.org/10.1007/978-3-642-57809-0
Bookmarklink
