1. APW-OPW Methods in the Band Problem. - A Comparison of Different Computer-Oriented Methods for the Energy Bands of Solids. - Diagonalization of Hermitian Matrices; Maximization of Speed and Accuracy. - An Alternative APW Technique: Theory and Application to Copper. - An RAPW Expanded Basis Set. - New Version of the Modified Augmented-Plane-Wave Method. - Gradients of E($$\overrightarrow k$$) from the APW Determinant. - APW Pseudopotential Form Factors for the Alkali Metals. - Self-Consistent Orthogonalized-Plane-Wave Calculations. - Symmetrization Techniques in Relativistic OPW Energy Band Calculations. - Some Notes on a Modified OPW Method. - 2. KKR Methods in the Band Problem. - Recent Developments in KKR Theory. - Comments on the KKR Wavefunctions; Extension of the Spherical Wave Expansion Beyond the Muffin Tins. - Efficient Numerical Techniques for the Calculation of KKR Structure Constants. - Calculations with Non-Muffin-Tin Potentials by the Green's Function Method. - Phase Shift Parametrization: Band Structure of Silver. - Band Structure Calculations for Semiconductors and Insulators Using the KKR Method. - Approximate KKR Band-Structure Schemes for Transition Metals. - Optical Properties of the Alkalis Using the KKR-Z Method. - 3. LCAO Methods in the Band Problem. - Discrete Variational Method for the Energy Band Problem. - Discrete Variational Method for the Energy Band Problem with LCAO Basis and Non-spherical Local Potential. - Recent Developments in Applying and Extending the Method of Tight Binding (LCAO) to Energy-Band Calculations. - Energy Bands by the LCAO Cellular Method. - 4. Interpolation and Integration in k-Space. - Interpolation and k-Space Integration: A Review. - Gilat-Raubenheimer Methods for k-Space Integration. - The Calculation of Brillouin Zone Integrals byInterpolation Techniques. - Computational Method for Generalized Susceptibility. - LCAO Interpolation Method for Nonorthogonal Orbitals. - Interpolation in k-Space with Functions of Arbitrary Smoothness. - Exact Solution of the Two-Band Density of States Problem. - Thermoelectric Transport Coefficients of Cubic Crystals Via k-Space Integration. - 5. The Band Problem with Boundary Conditions. - Bands Bonds and Boundaries. - $$\overrightarrow K \cdot \overrightarrow \pi$$ Interpolation and the Calculation of Vacancy States in PbTe. - A KKR Method for Two-Dimensional Lattices and Its Application to Band Calculation. - The Propagation Matrix Method for the Band Problem with a Plane Boundary. - 6. Self-Consistency Exchange and Correlation. - The Self-Consistent Field Method for Crystals. - Approximations of the Exchange and Correlation Potentials. - Some Remarks on Exchange Inhomogeneity Corrections in Many-Electron Systems. - Dielectric Function of Uniform Electron Gas. - Kohn-Sham Self-Consistent Scheme Applied to the Calculation of Atomic Systems and Metallic Sodium. - A Potential Function for Band Structure Calculations. - Crystal Potentials Used in Energy Band Theory. - Single-Particle States in Many-Body Systems. - Towards Self-Consistency with the Tight Binding Approximation. - Toward Hartree-Fock Calculations for Simple Crystals. - The Use of the GI Method in Band Calculations on Solids. - List of Contributors. Language: English