Electronic Structure word 网盘 高速 下载地址大全 免费

The study of the electronic structure of materials is at a momentous stage, with the emergence of new computational methods and theoretical approaches. This volume provides an introduction to the field and describes its conceptual framework, the capabilities of present methods, limitations, and challenges for the future. 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.

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. The Three Basic Methods for Electronic Structure: 12. Plane waves and grids: basics 13. Plane waves and grids: full calculations 14. Localized orbits: tight bending 15. Localized orbits: 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. Wanner functions 22. Polarization, localization and Berry's phases 23. Locality and linear scaling O (N) methods 24. Where to find more Appendix A. Functional equations Appendix B. LSDA and GGA functionals Appendix C. Adiabatic approximations Appendix D. Response functions and Green's functions Appendix E. Dielectric functions and optical properties Appendix F. Coulomb interactions in extended systems Appendix G. Stress from electronic structure Appendix H. Energy and stress densities Appendix I. Alternative force expressions Appendix J. Scattering and phase shifts Appendix K. Useful relations and formulas Appendix L. Numerical methods Appendix M. Iterative methods in electronic structure Appendix N. Code for empirical pseudopotential and tight-binding: schematic description Appendix O. Units and conversion factors.

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.

暂无其它内容！

暂时还没有人为这本书评论！