The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.

A description of general techniques for solving linear partial differential equations by dividing space into regions to which the equations are independently applied and then assembling a global solution from the partial ones. Intended for researchers and graduates involved in calculations of the electronic structure of materials, this will also be of interest to workers in quantum chemistry, electron microscopy, acoustics, optics, and other fields. The book begins with an intuitive approach to scattering theory and then turns to partial waves and a formal development of multiple scattering theory, with applications to the solid state. The authors then present a variational derivation of the formalism and an augmented version of the theory, concluding with a discussion of the relativistic formalism and a discussion of the Poisson equation. Appendices discuss Green's functions, spherical functions, Moller operators and the Lippmann-Schwinger equation, irregular solutions, and singularities in Green's functions.

The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.

Engineering materials with desirable physical and technological properties requires understanding and predictive capability of materials behavior under varying external conditions, such as temperature and pressure. This immediately brings one face to face with the fundamental difficulty of establishing a connection between materials behavior at a microscopic level, where understanding is to be sought, and macroscopic behavior which needs to be predicted. Bridging the corresponding gap in length scales that separates the ends of this spectrum has been a goal intensely pursued by theoretical physicists, experimentalists, and metallurgists alike. Traditionally, the search for methods to bridge the length scale gap and to gain the needed predictive capability of materials properties has been conducted largely on a trial and error basis, guided by the skill of the metallurgist, large volumes of experimental data, and often ad hoc semi phenomenological models. This situation has persisted almost to this day, and it is only recently that significant changes have begun to take place. These changes have been brought about by a number of developments, some of long standing, others of more recent vintage.

Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This 2006 graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.

Proceedings of the San Francisco meeting of April-May 1992. Papers emphasize deliberate and controlled introduction and manipulation of defects in order to engineer some desired properties in semiconductor materials and devices. Topics include: defects in bulk crystals, and in thin films; defect characterization; hydrogen interaction; processing induction of defects; quantum wells; ion implantation. Annotation copyright by Book News, Inc., Portland, OR