Computational Methods in Band Theory

Table of Contents

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   Book Overview
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   Chapter 1 A Comparison of Different Computer-Oriented Methods for the Energy Bands of Solids
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   Chapter 2 Diagonalization of Hermitian Matrices; Maximization of Speed and Accuracy
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   Chapter 3 An Alternative APW Technique: Theory and Application to Copper
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   Chapter 4 An RAPW Expanded Basis Set
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   Chapter 5 New Version of the Modified Augmented-Plane-Wave Method
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   Chapter 6 Gradients of E( $$\overrightarrow k$$ ) from the APW Determinant
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   Chapter 7 APW Pseudopotential Form Factors for the Alkali Metals
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   Chapter 8 Self-Consistent Orthogonalized-PLane-Wave Calculations
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    Chapter 9 Symmetrization Techniques in Relativistic OPW Energy Band Calculations
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    Chapter 10 Some Notes on a Modified OPW Method
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    Chapter 11 Recent Developments in KKR Theory
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    Chapter 12 Comments on the KKR Wavefunctions; Extension of the Spherical Wave Expansion beyond the Muffin Tins
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    Chapter 13 Efficient Numerical Techniques for the Calculation of KKR Structure Constants
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    Chapter 14 Calculations with “Non-Muffin Tin” Potentials by the Green’s Function Method
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    Chapter 15 Phase Shift Parametrization: Band Structure of Silver
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    Chapter 16 Band Structure Calculations for Semiconductors and Insulators Using the KKR Method
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    Chapter 17 Approximate KKR Band-Structure Schemes for Transition Metals
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    Chapter 18 Optical Properties of the Alkalis Using the KKR-Z Method
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    Chapter 19 Discrete Variational Method for the Energy Band Problem
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    Chapter 20 Discrete Variational Method for the Energy Band Problem with LCAO Basis and Non-Spherical Local Potential
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    Chapter 21 Recent Developments in Applying and Extending the Method of Tight Binding (LCAO) to Energy-Band Calculations
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    Chapter 22 Energy Bands by the LCAO Cellular Method
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    Chapter 23 Interpolation and k-Space Integration: A Review
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    Chapter 24 Gilat-Raubenheimer Methods for k-Space Integration
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    Chapter 25 The Calculation of Brillouin Zone Integrals by Interpolation Techniques
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    Chapter 26 Computational Method for Generalized Susceptibility
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    Chapter 27 LCAO Interpolation Method with Nonorthogonal Orbitals
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    Chapter 28 Interpolation in k-Space with Functions of Arbitrary Smoothness
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    Chapter 29 Exact Solution of the Two-Band Density of States Problem
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    Chapter 30 Thermoelectric Transport Coefficients of Cubic Crystals via K-Space Integration
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    Chapter 31 Bands, Bonds, and Boundaries
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    Chapter 32 $$\overrightarrow K \cdot \overrightarrow \pi$$ Interpolation and the Calculation of Vacancy States in PbTe
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    Chapter 33 A KKR Method for Two-Dimensional Lattices and Its Application to Band Calculation
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    Chapter 34 The Propagation Matrix Method for the Band Problem with a Plane Boundary
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    Chapter 35 The Self-Consistent Field Method for Crystals
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    Chapter 36 Approximations of the Exchange and Correlation Potentials
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    Chapter 37 Some Remarks on Exchange Inhomogeneity Corrections in Many-Electron Systems
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    Chapter 38 Dielectric Function of Uniform Electron Gas
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    Chapter 39 Kohn-Sham Self-Consistent Scheme Applied to the Calculation of Atomic Systems and Metallic Sodium
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    Chapter 40 A Potential Function for Band Structure Calculations
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    Chapter 41 Crystal Potentials Used in Energy Band Theory
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    Chapter 42 Single-Particle States in Many-Body Systems
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    Chapter 43 Towards Self Consistency with the Tight Binding Approximation
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    Chapter 44 Toward Hartree-Fock Calculations for Simple Crystals
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    Chapter 45 The Use of the GI Method in Band Calculations on Solids