Electron Correlations in Molecules and Solids

By: Peter Fulde

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Paperback | 11 March 2002 | Edition Number 3

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500 Pages

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Revised

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24.13 x 15.88 x 3.18

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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 Monte-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.

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Introduction	p. 1
The Independent-Electron Approximation	p. 5
Density Functional Theory	p. 39
Quantum-Chemical Approach to Electron Correlations	p. 61
Cumulants, Partitioning, and Projections	p. 81
Excited States	p. 107
Finite-Temperature Techniques	p. 129
Correlations in Atoms and Molecules	p. 151
Semiconductors and Insulators	p. 189
Homogeneous Metallic Systems	p. 223
Transition Metals	p. 253
Strongly Correlated Electrons	p. 281
Heavy-Fermion Systems	p. 347
Superconductivity and the High-T[subscript c] Materials	p. 377
Appendix A. Relation Between E[subscript xc][p] and the Pair Distribution Function	p. 423
Appendix B. Derivation of Several Relations Involving Cumulants	p. 424
Appendix C. Projection Method of Mori and Zwanzig	p. 426
Appendix D. Cross-Over from Weak to Strong Correlations	p. 428
Appendix E. Derivation of a General Form for [Omega]	p. 431
Appendix F. Hund's Rule Correlations	p. 432
Appendix G. Cumulant Representation of Expectation Values and Correlation Functions	p. 436
Appendix H. Diagrammatic Representation of Certain Expectation Values	p. 439
Appendix I. Derivation of the Quasiparticle Equation	p. 442
Appendix J. Coherent-Potential Approximation	p. 444
Appendix K. Derivation of the NCA Equations	p. 447
Appendix L. Ground-State Energy of a Heisenberg Antiferromagnet on a Square Lattice	p. 449
Appendix M. The Lanczos Method	p. 453
References	p. 455
Subject Index	p. 469
Table of Contents provided by Blackwell. All Rights Reserved.

Electron Correlations in Molecules and Solids

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