Multiple Scattering in Solids: Graduate Texts in Contemporary Physics
Autor Antonios Gonis, William H. Butleren Limba Engleză Hardback – 28 dec 1999
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Specificații
ISBN-13: 9780387988535
ISBN-10: 038798853X
Pagini: 285
Ilustrații: XIII, 285 p.
Dimensiuni: 155 x 235 x 19 mm
Greutate: 0.54 kg
Ediția:2000
Editura: Springer
Colecția Springer
Seria Graduate Texts in Contemporary Physics
Locul publicării:New York, NY, United States
ISBN-10: 038798853X
Pagini: 285
Ilustrații: XIII, 285 p.
Dimensiuni: 155 x 235 x 19 mm
Greutate: 0.54 kg
Ediția:2000
Editura: Springer
Colecția Springer
Seria Graduate Texts in Contemporary Physics
Locul publicării:New York, NY, United States
Public țintă
GraduateCuprins
1 Introduction.- 1.1 Basic Characteristics of MST.- 1.2 Electronic Structure Calculations.- 1.3 The Aim of This Book.- References.- 2 Intuitive Approach to MST.- 2.1 Huygens’ Principle and MST.- 2.2 Time-Independent Green Functions.- References.- 3 Single-Potential Scattering.- 3.1 Partial-Wave Analysis of Single Potential Scattering.- 3.2 General Considerations.- 3.3 Spherically Symmetric Potentials.- 3.4 Nonspherical Potentials.- 3.5 Wave Function in the Moon Region.- 3.6 Effect of the Potential in the Moon Region.- 3.7 Convergence of Basis Function Expansions (*).- References.- 4 Formal Development of MST.- 4.1 Scattering Theory for a Single Potential.- 4.2 Two-Potential Scattering.- 4.3 The Equations of Multiple Scattering Theory.- 4.4 Representations.- 4.5 Muffin-Tin Potentials.- References.- 5 MST for Muffin-Tin Potentials.- 5.1 Multiple Scattering Series.- 5.2 The Green Function in MST.- 5.3 Impurities in MST.- 5.4 Coherent Potential Approximation.- 5.5 Screened MST.- 5.6 Alternative Derivation of MST.- 5.7 Korringa’s Derivation.- 5.8 Relation to Muffin-Tin Orbital Theory.- 5.9 MST for E < 0.- 5.10 The Convergence Properties of MST (*).- References.- 6 MST for Space-Filling Cells.- 6.1 Historical Development of Full-Cell MST.- 6.2 Derivations of MST for Space-Filling Cells.- 6.3 Full-Cell MST.- 6.4 The Green Function and Bloch Function.- 6.5 Variational Formalisms.- 6.6 Second Variational Derivation (*).- 6.7 Construction of the Wave Function.- 6.8 The Closure of Internal Sums (*).- 6.9 Numerical Results.- 6.10 Square Versus Rectangular Matrices (*).- References.- 7 Augmented MST(*).- 7.1 General Comments.- 7.2 MST with a Truncated Basis Set: MT Potentials.- 7.3 General Potentials.- 7.4 Green Functions and the Lloyd Formula.- 7.5 Numerical Study of TwoMuffin-Tin Potentials.- 7.6 Convergence of Electronic Structure Calculations.- References.- 8 Relativistic Formalism.- 8.1 General Comments.- 8.2 Generalized Partial Waves.- 8.3 Generalized Structure Constants.- 8.4 Free-Particle Solutions.- 8.5 Relativistic Single-Site Scattering Theory.- 8.6 Relativistic Multiple Scattering Theory.- References.- 9 The Poisson Equation.- 9.1 General Comments.- 9.2 Multipole Moments.- 9.3 Comparison with the Schrödinger Equation.- 9.4 Convex Polyhedral Cells.- 9.5 Numerical Results for Convex Cells.- 9.6 Concave Cells.- 9.7 Direct Analogy with MST.- References.- A Time-Dependent Green Functions.- B Time-Independent Green Functions.- C Spherical Functions.- C.1 The Spherical Harmonics.- C.2 The Bessel, Neumann, and Hankel Functions.- C.3 Solutions of the Helmholtz Equation.- References.- D Displacements of Spherical Functions References D.- References.- E The Two-Dimensional Square Cell.- E.1 Numerical Results (*).- References.- F Formal Scattering Theory.- F.1 General Comments.- F.2 Initial Conditions and the Møller Operators.- F.3 The Møller Wave Operators.- F.4 The Lippmann—Schwinger Equation.- References.- G Irregular Solutions to the Schrödinger Equation.- H Displacement of Irregular Solutions.- K Conversion of Volume Integrals.- L Energy Derivatives.- M Convergence of the Secular Matrix.- N Summary of MST.- N.1 General Framework.- N.2 Single Potential.- N.3 Multiple Scattering Theory.