The study of the electronic structure of materials is at a momentous stage, with new algorithms and computational methods, and rapid advances in basic theory. Many properties of materials can now be determined directly from the fundamental equations for the electrons, providing new insights into critical problems in physics, chemistry, and materials science. This book provides a unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and real world applications. The book is appropriate for both graduate students and practicing scientists. It describes the approach most widely used today-density functional theory-with emphasis upon
understanding the ideas, practical methods, and limitations. Many references are provided to original papers, pertinent reviews, and widely available books.-fncluded in each chapter is a short list of the most relevant references and a set of exercises that reveal sal ient points and challenge the reader.