Electronic Structure Basic Theory and Practical Methods 1st edition by Richard Martin 7506282925 9787506282925

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Product details:

• ISBN 10:7506282925 

• ISBN 13:9787506282925

• Author:Richard Martin

 The study of electronic structure of materials is at a momentous stage, with new computational methods and advances in basic theory. Many properties of materials can be determined from the fundamental equations, and electronic structure theory is now an integral part of research in physics, chemistry, materials science and other fields. This book provides a unified exposition of the theory and methods, with emphasis on understanding each essential component. New in the second edition are recent advances in density functional theory, an introduction to Berry phases and topological insulators explained in terms of elementary band theory, and many new examples of applications. Graduate students and research scientists will find careful explanations with references to original papers, pertinent reviews, and accessible books. Each chapter includes a short list of the most relevant works and exercises that reveal salient points and challenge the reader.

Electronic Structure Basic Theory and Practical Methods 1st Table of contents:

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.

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