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Electronic Structure: Basic Theory and Practical Methods

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The study of the electronic structure o f 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 in to 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 applic ations. 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 referen ces are provided to original papers, pertinent reviews, and widely available books. Included in each chapter is a short list of the most relevant references and a set of exercises that reveal salient points and challenge the reader.

Richard M. Martin received his Ph.D. from the University of Chicago in 1969, followed by post-doctoral research at Bell Laboratories. In 1971 he joined the Xerox Palo Alto Research Center in California where he became Principle Scientist and a consu lting professor at Stanford University. Since 1987 he has been Professor of Physics at the University of Illinois at Urbana-Champaign, where he has organized courses, workshops, and schools on electronic structure as well as founding the Materials Computa tion Center. He has made important contributions to many areas of modern electronic structure, with over 200 published papers. He is a fellow of the American Physical Society and the American Association for the Advancement of Science, and he is a recipie nt of the Alexander von Humboldt Senior Scientist Award. He has served on editorial boards of the American Physical Society, including Physical Review and Physical Review Letters, and has recently been associate editor for condensed matter t heory for the Reviews of Modern Physics.