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Informationen zum Autor Richard Martin is Professor of Physics at the University of Illinois at 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. Klappentext The study of the electronic structure of materials is at a momentous stage! with the emergence of new computational methods and theoretical approaches. Many properties of materials can now be determined directly from the fundamental equations of quantum mechanics! bringing new insights into critical problems in physics! chemistry! and materials science. This volume provides an introduction to the field and describes its conceptual framework! the capabilities of present methods! limitations! and challenges for the future. Each chapter presents thoughtful exercises to emphasize salient points and to challenge the readers understanding. Zusammenfassung 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 fundamental equations of quantum mechanics! bringing new insights into critical problems in physics! chemistry! and materials science. Inhaltsverzeichnis 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. ...
