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Electron Correlations and Materials Properties

✍ Scribed by Walter Kohn (auth.), A. Gonis, N. Kioussis, M. Ciftan (eds.)


Publisher
Springer US
Year
1999
Tongue
English
Leaves
545
Edition
1
Category
Library

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✦ Synopsis


Over the last thirty years or so, the attempts to identify the electronic origins of materials properties have proceeded along two distinct and apparently divergent methodologies. On the one-hand, so-called single-particle methods are based on the study of a single electron moving in an effective field formed by the other electrons and the nuclei in the system. Band theory, as this approach is referred to, has had impressive successes in determining the equilibrium properties, such as structural stability, volume, and charge densities, of specific materials, notably metals. Today, even coherent phase diagrams (based on a single underlying lattice) for binary metallic alloys can be studied with considerable accuracy. In spite of its serious and well-understood limitations regarding the handling of correlations, band theory has been embraced by the materials scientist. Its single-particle nature endows the method with an economy of concepts which leads to a clear identification of mechanisms driving physical behavior at the electronic level. This perceived clarity often tends to override legitimate concerns regarding the validity of the method or its ability to correctly identify the mechanisms in the first place. The alternative methodology pursued in the study of quantum systems consists of what can be referred to as conventional many-body theory. This methodology is based on attempts to study explicitly the effects of interparticle correlations using a number of different formal approaches, including but not limited to, perturbation methods, Green-function equation of motion methods, configuration interactions, quantum Monte Carlo, and others.

✦ Table of Contents


Front Matter....Pages i-xiv
International Workshop on Electron Correlations and Materials Properties....Pages 1-2
Front Matter....Pages 3-3
Experimental Studies of Electron Correlation Effects in Solids....Pages 5-31
Photoemission in Strongly Correlated Crystalline f-Electron Systems: A Need for a New Approach....Pages 33-58
Heavy Electron Phenomena....Pages 59-73
Lattice Effects in the Light Actinides....Pages 75-96
Anomalous Magnetic and Related Electronic Properties of Uranium Intermetallic Compounds....Pages 97-113
The Role of Selected f Ions in the Suppression of High-T c Superconductivity....Pages 115-135
An Investigation of the Magnetic Fluctuations Above and Below T c in the Heavy Fermion Superconductor UPd 2 A1 3 ....Pages 137-151
Non-Fermi-Liquid Properties and Exotic Superconductivity in CeCu 2 Si 2 and (UTh)Be 13 ....Pages 153-168
Onset of Magnetism and Non-Fermi Liquid Behaviour In UTX Compounds....Pages 169-177
Non-Fermi Liquid Behavior in U 3-x Ni 3 Sn 4-y Single Crystals....Pages 179-185
Front Matter....Pages 187-187
Introductory Overview and Heavy-Fermion Phenomenology....Pages 189-205
Magnetic and Thermodynamic Properties of The 3-D Anderson Lattice Hamiltonian....Pages 207-223
Narrow-Band Effects in Rare-Earths and Actinides: Interaction Between The Kondo Effect and Magnetism....Pages 225-250
Consequences of Having Two Kinds of F-Electrons for Sce Systems as Treated By a Synthesis of Many-Body Theory and Electronic Structure....Pages 251-265
Effect of Disorder in the Periodic Anderson Model....Pages 267-271
Dynamical Electron Correlations in Metals: Tb-Lmto and Multiband Hubbard Hamiltonian....Pages 273-284
Front Matter....Pages 285-285
Exchange and Correlation In Atoms, Molecules, And Solids: The Density Functional Picture....Pages 287-298
On Time-Independent Density-Functional Theories for Excited States....Pages 299-308
Quasiparticle And Optical Excitations In Solids and Clusters....Pages 309-328
Front Matter....Pages 285-285
Ab minitio Studies of Electronic Excitations in Real Solids....Pages 329-359
Pair Densities, Particle Number Fluctuations, and a Generalized Density Functional Theory....Pages 361-379
The Two-Particle Picture and Electronic Structure Calculations....Pages 381-392
Orbital Functionals in Static and Time-Dependent Density Functional Theory....Pages 393-427
Understanding Electronic Wave Functions....Pages 429-438
Density Functional Theory for The Study of Single-Molecule Electronic Systems....Pages 439-450
Density Functional Theory for A Single Excited State....Pages 451-462
Construction of An Accurate Self-interaction-corrected Correlation Energy Functional Based on An Electron Gas with A Gap....Pages 463-477
Towards New Approximations for The Exchange-Correlation Functional Using Many-Body Perturbation Theory....Pages 479-485
Electronic Structure and Magnetism of Itinerant 5f Ferromagnets URhSi and URhGe....Pages 487-498
Pressure-Induced Phase Transitions In Alkali Halides: Hf and Dft Study....Pages 499-507
A Quantum Monte Carlo Study of the Exchange-Correlation Hole in Silicon Atom and System-Averaged Correlation Holes of Second Row Atoms....Pages 509-518
Strongly Correlated Electrons: Dynamical Vertex Renormalization....Pages 519-530
Correlation Effects on Stability in Pu Metal and Its Alloys....Pages 531-537
Back Matter....Pages 539-556

✦ Subjects


Characterization and Evaluation of Materials;Condensed Matter Physics;Metallic Materials;Theoretical, Mathematical and Computational Physics


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