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Electronic Structure

Electronic Structure
Basic Theory and Practical Methods

£71.99

  • Date Published: April 2004
  • availability: Available
  • format: Hardback
  • isbn: 9780521782852

£ 71.99
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  • The study of the electronic structure of materials is at a momentous stage, with the emergence of computational methods and theoretical approaches. Many properties of materials can now be determined directly from the fundamental equations for the electrons, providing 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. Appropriate for both graduate students and practising scientists, this book 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. 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.

    • An associated web site features additional resources for students
    • Presents a unified exposition of the basic theory and methods of electronic structure, showing similarities and differences, advantages and disadvantages
    • Contains extensive exercises to challenge the reader and aid in self-study
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    Reviews & endorsements

    'The book places electronic structure in the context of elementary issues in physics, while at the same time emphasising its role in providing useful information on the properties of materials … unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and actual applications … aim is to serve graduate students and scientists involved in research while acting as supplementary material for courses on condensed matter physics and material science … Examples of problems are included in each chapter to bring out salient points and challenge the reader.' Materials World

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    Product details

    • Date Published: April 2004
    • format: Hardback
    • isbn: 9780521782852
    • length: 650 pages
    • dimensions: 253 x 179 x 22 mm
    • weight: 1.42kg
    • contains: 5 b/w illus. 150 exercises
    • availability: Available
  • Table of Contents

    Preface
    Acknowledgements
    Notation
    Part I. Overview and Background Topics:
    1. Introduction
    2. Overview
    3. Theoretical background
    4. Periodic solids and electron bands
    5. Uniform electron gas and simple metals
    Part II. Density Functional Theory:
    6. Density functional theory: foundations
    7. The Kohn–Sham ansatz
    8. Functionals for exchange and correlation
    9. Solving the Kohn–Sham equations
    Part III. Important Preliminaries on Atoms:
    10. Electronic structure of atoms
    11. Pseudopotentials
    Part IV. Determination of Electronic Structure, The Three Basic Methods:
    12. Plane waves and grids: basics
    13. Plane waves and grids: full calculations
    14. Localized orbitals: tight binding
    15. Localized orbitals: full calculations
    16. Augmented functions: APW, KKR, MTO
    17. Augmented functions: linear methods
    Part V. Predicting Properties of Matter from Electronic Structure – Recent Developments:
    18. Quantum molecular dynamics (QMD)
    19. Response functions: photons, magnons …
    20. Excitation spectra and optical properties
    21. Wannier functions
    22. Polarization, localization and Berry's phases
    23. Locality and linear scaling O (N) methods
    24. Where to find more
    Appendixes
    References
    Index.

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    Electronic Structure

    Richard M. Martin

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  • Instructors have used or reviewed this title for the following courses

    • Physical Chemistry:Quantum Mechanics & Spectroscopy
  • Author

    Richard M. Martin, University of Illinois, Urbana-Champaign
    Richard Martin is Professor of Physics at the University of Illinois, Urbana-Champaign. He is a recipient of the Alexander von Humboldt Senior Scientist Award, and is a fellow of the American Physical Society (APS) and the American Association for the Advancement of Science. He has served on several editorial boards of the APS, including Physical Review and Physical Review Letters, and Reviews of Modern Physics where he was associate editor for condensed matter theory.

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