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001			ocn162579004
003			OCoLC
005			20141103172212.0
006			m o d
007			cr cn|||||||||
008			070806s2006 ne a ob 001 0 eng d
040			_aOPELS _beng _cOPELS _dOPELS _dOCLCQ _dN$T _dYDXCP _dOCLCQ _dOCLCO _dOCLCQ
019			_a86108674
020			_a9780444509765
020			_a0444509763
020			_a9780080464572 (electronic bk.)
020			_a0080464572 (electronic bk.)
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029	1		_aCHDSB _b005986165
035			_a(OCoLC)162579004 _z(OCoLC)86108674
037			_a109043:109089 _bElsevier Science & Technology _nhttp://www.sciencedirect.com
050		4	_aQC176.8.E4 _bC577 2006eb
072		7	_aSCI _x050000 _2bisacsh
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049			_aTEFA
245	0	0	_aConceptual foundations of materials _h[electronic resource] : _ba standard model for ground- and excited-state properties / _c[edited by] Steven G. Louie and Marvin L. Cohen.
250			_a1st ed.
260			_aAmsterdam ; _aBoston : _bElsevier, _c2006.
300			_a1 online resource (x, 234 p.) : _bill.
490	1		_aContemporary concepts of condensed matter science
520			_aThe goal of this Volume "Conceptual Foundations of Materials: A standard model for ground- and excited-state properties" is to present the fundamentals of electronic structure theory that are central to the understanding and prediction of materials phenomena and properties. The emphasis is on foundations and concepts. The Sections are designed to offer a broad and comprehensive perspective of the field. They cover the basic aspects of modern electronic structure approaches and highlight their applications to the structural (ground state, vibrational, dynamic and thermodynamic, etc.) and electronic (spectroscopic, dielectric, magnetic, transport, etc.) properties of real materials including solids, clusters, liquids, and nanostructure materials. This framework also forms a basis for studies of emergent properties arising from low-energy electron correlations and interactions such as the quantum Hall effects, superconductivity, and other cooperative phenomena. Although some of the basics and models for solids were developed in the early part of the last century by figures such as Bloch, Pauli, Fermi, and Slater, the field of electronic structure theory went through a phenomenal growth during the past two decades, leading to new concepts, understandings, and predictive capabilities for determining the ground- and excited-state properties of real, complex materials from first principles. For example, theory can now be used to predict the existence and properties of materials not previously realized in nature or in the laboratory. Computer experiments can be performed to examine the behavior of individual atoms in a particular process, to analyze the importance of different mechanisms, or just to see what happen if one varies the interactions and parameters in the simulation. Also, with ab initio calculations, one can determine from first principles important interaction parameters which are needed in model studies of complex processes or highly correlated systems. Each time a new material or a novel form of a material is discovered, electronic structure theory inevitably plays a fundamental role in unraveling its properties. Provides the foundations of the field of condensed matter physics An excellent supplementary text for classes on condensed matter physics/solid state physics Volume covers current work at the forefront Presentations are accessible to nonspecialists, with focus on underlying fundamentals.
505	0		_a1. Overview -- A Standard Model of Solids -- 1.1 Background -- 1.2 The Hamiltonian -- 1.3 Emperical models -- 1.4 Ab initio calculations -- 1.5 Other sections -- 2. Predicting Materials and Properties -- Theory of the Ground and Excited States -- 2.1 Introduction -- 2.2 The ground state and density functional formulism -- 2.3 Ab initio pseudopotentials -- 2.4 Electronic, structural, vibrational and other ground-state properties -- 2.5 Electron-phonon interaction and superconductivity -- 2.6 Excited states, spectroscopic properties, and Green's functions -- 2.7 Single-particle Green's function and electron self energy -- 2.8 The GW approximation -- 2.9 Quasiparticle excitations in materials -- 2.10 Electron-hole excitations and the Bethe-Salpeter equation -- 2.11 Optical properties of solids, surfaces, and nanostructures -- 2.12 Spectroscopic properties of nanotubes -- a novel 1D system -- 2.13 Summary and perspectives -- 3. Ab Initio Molecular Dynamics -- Dynamics and Thermodynamic Properties -- 3.1 Molecular Dynamics -- 3.2 Potential energy surface and electronic structure -- 3.3 Ab-initio Molecular Dynamics: the Car-Parrinello approach -- 3.4 Numerical implementation -- 3.5 An illustrative application: liquid water -- 3.6 Phase diagrams from first-principles -- 3.7 Rare events -- 3.8 Omissions, perspectives and open issues -- 4. Structure and Electronic Properties of Complex Materials: Clusters, Liquids and Nanocrystals -- 4.1 Introduction -- 4.2 The electronic structure problem -- 4.3 Solving the Kohn-Sham problem -- 4.4 Simulating liquid silicon -- 4.5 Properties of confined systems: clusters -- 4.6 Quantum confinement in nanocrystals and dots -- 5. Quantum Electrostatics of Insulators -- Polarization, Wannier Functions, and Electric Fields -- 5.1 Introduction -- 5.2 The polarization -- 5.3 Outline of density-functional perturbation theory -- 5.4 The Berry-phase theory of polarization -- 5.5 Reformulation in terms of Wannier functions -- 5.6 The quantum of polarization and the surface charge theorem -- 5.7 Treatment of finite electric fields -- 5.8 Conclusions -- 6. Electron Transport -- 6.1 Introduction -- 6.2 Conductivity -- 6.3 Conductance versus conductivity ; the point contact -- 6.4 Kubo and other formulas -- 6.5 Supercurrent and Andreev reflection -- 6.6 Bloch-Boltzmann theory -- 6.7 Kondo effect and resistivity minimum in metals -- 6.8 Dirty Fermi liquids and intrinsically diffusive states -- 6.9 Weak localization and quantum corrections -- 6.10 Neutron, photoemission, and infrared spectroscopies -- 6.11 Semiconductors and the metal/insulator transition -- 6.12 Coulomb blockade -- 6.13 Coulomb gap.
504			_aIncludes bibliographical references and indexes.
588			_aDescription based on print version record.
650		0	_aElectronic structure.
650		0	_aMatter _xElectric properties.
650		7	_aSCIENCE _xNanoscience. _2bisacsh
655		4	_aElectronic books.
700	1		_aLouie, Steven G., _d1949-
700	1		_aCohen, Marvin L.
776	0	8	_iPrint version: _tConceptual foundations of materials. _b1st ed. _dAmsterdam ; Boston : Elsevier, 2006 _z0444509763 _z9780444509765 _w(DLC) 2006048394 _w(OCoLC)70122613
830		0	_aContemporary concepts of condensed matter science.
856	4	0	_3ScienceDirect _uhttp://www.sciencedirect.com/science/book/9780444509765
938			_aYBP Library Services _bYANK _n2537348
938			_aEBSCOhost _bEBSC _n173533
942			_cEB
994			_aC0 _bTEF
999			_c21001 _d21001