Computational Solid State Physics, Softcover reprint of the original 1st ed. 1972 Proceedings of an International Symposium Held October 6–8, 1971, in Wildbad, Germany The IBM Research Symposia Series

During the past 20 years, solid state physics has become one of the major branches of physics. 1-2 Today over one-third of all scientific articles published in physics deal with solid state 3 topics. During the last two decades, there has also been ra~id growth of scientific computation in a wide variety of fields. -5 The combination of solid state physics and comp~tation may be termed computational solid state physics. This emerging field is distin­ guished from theoretical solid state physics only to the extent that electronic computers rather than slide rules or backs of envelopes are used to solve numerical or logical problems, test scientific hypotheses, and discover the essential physical content of formal mathematical theories. Papers in computational solid state physics are widely scatter­ ed in the literature. They can be found in the traditional physics journals and review series, such as The Physical Review and Solid State Physics; in more specialized publications, such as Journal of Computational Physics, Computer Physics Communications, and Methods in Computational Physics; and in the proceedings of a number of re­ 6 9 cent conferences and seminar courses. - Plans for holding an International Symposium on Computational Solid State Physics in early October 1971 were formulated by Dr.

1. Experimental Studies of the Electronic Structure of Crystals.- Introductory Remarks.- Spatial Dispersion Induced Birefringence in Cubic Semiconductors.- Photoemission Studies of the Electronic Structure of Solids.- Investigation of Inner Shell Excitations in Solids by Synchrotron Radiation.- Positron Annihilation Experiments and the Band Structure of V3Si.- 2. Theoretical Studies of the Electronic Structure of Crystals.- Introductory Remarks.- Empirical Band Calculations.- On the Theory of Metallic Lithium.- Generalizations of the Relativistic OPW Method Including Overlapping and Non-Overlapping Atomic Orbitals.- MAPW-Calculations with Screened Exchange Application to Copper.- Some Remarks on Current RAPW Calculations for Silver, Molybdenum, and Vanadium.- Recent KKR Band Calculations.- The Atomic Arrangements and Radial Distribution Functions of Amorphous Silicon and Germanium.- Optical Properties of Polytypes of Germanium.- Charge Density in the Gallium Arsenide Crystal.- 3. Treatment of Exchange and Correlation Effects in Crystals.- Introductory Remarks.- Effects of Electron Correlation with Particular Reference to Charge and Momentum Densities in Crystals.- Local Exchange-Correlation Potentials.- Exchange-Correlation Potentials.- An Improved Statistical Exchange Approximation.- Cohesive Energy of the Lithium Metal by the AMO Method.- 4. Solid State Astrophysics.- Introductory Remarks.- Observational Evidence for Solid State Phenomena in Pulsars.- Neutron Stars and White Dwarfs.- 5. Lattice Dynamics.- Introductory Remarks.- Note on the Rennes Conference on Phonons.- Neutron and X-Ray Inelastic Scattering by Lattice Vibrations.- Phonon Dispersion Relations.- Microscopic Theory of Phonons in Solids.- Computational Aspects of Anharmonic Lattice Dynamics.- Anharmonic Lattice Dynamics: Renormalized Theory.- 6. Localized Imperfections and Dislocations.- Introductory Remarks.- Localized Vibrational Modes in Crystals.- Point Defects in Ionic Crystals.- Computer Simulation of Point and Line Defects in Iron and Copper.- Dislocations in Anisotropic Media.- List of Contributors.