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Density Functional Theory : An Advanced Course
This book emerged from a course on density functional theory (DFT), first given at the University of Munich more than a decade ago. The course was based on the classic texts by Dreizler and Gross (Springer, 1990) and by Parr and Yang (Oxford University Press, 1989). More recent topics of that time, such as time-dependent DFT or orbital-dependent functionals, were added to the material covered by the two books. However, already at that time restriction to the most relevant and/or most illustrative statements on a particular aspect of DFT was necessary, in order to keep the length of the course under control. When the course was later given again at the University of Frankfurt it soon turned out to be impossible to integrate the exploding number of new results, concerning both the formalism as well as important applications, into the course: So, even a selection of the branches of DFT covered in the course was unavoidable.
The present text reflects this, admittedly subjective, choice of topics: it con-
centrates on the basics of the most widely used variants of DFT. This implies a
thorough discussion of the corresponding existence theorems and effective single-particle equations as well as of the key approximations utilized in implementations.
Contents
1 Introduction
2 Foundations of Density Functional Theory: Existence Theorems
3 Effective Single-Particle Equations
4 Exchange-Correlation Energy Functional
5 Virial Theorems
6 Orbital Functionals: Optimized Potential Method
7 Time-Dependent Density Functional Theory
8 Relativistic Density Functional Theory
9 Further Reading
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A Guide to Feynman Diagrams in the Many-Body Problem
Richard D. Muttuck
" (A) Pedagogical jewel ... Muttuck's fine sense of humor makes his book,which is labor of love, a great delight to read. " -Physics Today
Among the most fertile areas of modern physics, many-body theory has produced a wealth of fundamental results in all areas of the discipline. Unfortunately the subject is notoriously difficult and, until the publication of this book, most treatment of the topic were inaccessible to average experimenter or nonspecialist theoretician.
The present work, by contrast, is well within the grasp of the nonexpert. It is intended primarily as a "self-study" book that introuduces one aspect of many-body theory, i.e. the method of Feynman diagrams . The book also lends itself to use as a reference in course on solid state which make use of the many-body techniques. And, finally, it can be used as a supplementary reference in a many-body course.
Contents
0. The Many-Body Problem for Everybody
1. Feynman Diagrams, or how to Solve the Many-Body Problem by means of pictures
2. Classical Quasi Particles and the Pinball Propagator
3. Quantum Quasi Particles and Quantum Pinball Propagator
4. Quasi Particles in Fermi Systems
5. Ground State Energy and Vacuum Amplitude or 'No-particle Propagator'
6. Bird's-Eye View of Diagram Method in Many-Body Problem
7. Occupation Number Formalism ( Second Quantization )
8. More about Quasi Particles
9. The Single-Particle Propagator Re-visited
10. Dyson's Equation, Renormalization, RPA and Ladder Approximations
11. Self-Consistent Renormalization and the Existence of the Fermi Surface
12. Ground State Energy of Electron Gas and Nuclear Matter
13. Collective Excitations and the Two-Particle Propagator
14. Fermi Systems at Finite Temperature
15. Diagram Methods in Superconductivity
16. Phonons From a Many-Body Viewpoint (Reprint)
17. Quantum Field Theory of Phase Transitions in Fermi Systems
18. Feynman Diagrams in the Kondo Problem
19. The Renormalization Group
Appendices
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Density Functional Theory: A Practical Introduction
The application of density functional theory (DFT) calculations is rapidly becoming a "standard tool" for diverse materials modeling problems in physics, chemistry, materials science, and multiple branches of engineering. This book aims to guide the reader through the application of DFT that might be considered the core of continually growing scientific literature based on these methods. Each chapter includes a series of exercises to give readers experience with calculation of their own.
Contents
1. What is Density Functional Theory?
2. DFT Calculations for Simple Solids
3. Nuts and Bolts of DFT Calculations
4. DFT Calculations for Surface of solids
5. DFT Calculations of Vibrational Frequencies
6. Calculating Rates of Chemical Processes Using Transition State Theory
7. Equilibrium Phase Diagrams from Ab Initio Thermodynamics
8. Electronic Structure and Magnetic Properties
9. Ab Initio Molecular Dynamics
10. Accuracy and Methods beyond "Standard" Calculations
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Magnetism and Magnetic Materials
Covering basic physical concepts, experimental methods, and applications, this book is an indispensable text on the fascinating science of magnetism, and an invaluable source of practical reference data. Accessible, authoritative, and assuming undergraduate familiarity with quantum mechanics, electromagnetism and vectors, this textbook can be used on graduate courses.
Emphasis is placed on practical calculations and numerical magnitudes - from nanoscale to astronomical scale - with a focus on modern manifestations, including spin electronic devices. Each self-contained chapter begins with a summary, and ends with exercises and further reading. The book is thoroughly illustrated with over 600 figures to help convey concepts and clearly explain ideas. Easily digestible tables and data sheets provide a wealth of useful information on magnetic materials, and 38 principal magnetic materials, and many more related compounds, are treated in detail.
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Chapters are self-contained and dedicated to one topic each, with summaries and questions at the end to help the reader test their understanding of material
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38 principal magnetic materials are presented in an album format to include all the crucial data alongside the text H
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Helpful tables summarize magnetic properties and applications so that this book can be used as a reference source of practical data
Contents
Introduction
Magnetostatics
Magnetism of electrons
Magnetism of localized electrons on the atom
Ferromagnetism and exchange
Antiferromagnetism and other magnetic order
Micromagnetism, domains and hysteresis
Nanoscale magnetism
Magnetic resonance
Experimental methods
Magnetic materials
Applications of soft magnets
Applications of hard magnets
Spin electronics and magnetic recording
Special topics
Appendices
Index
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Magnetic Materials: Fundamentals and Device Applications
This book has been tested on human subjects during on magnetic materials that I have taught at UC Santa Barbara for the last few years. I am immensely grateful to each class of students for suggesting improvements, hunting for errors and letting me know when I am being boring. I hope that their enthusiasm is contagious. Nicola Spaldin
Contents
1. Review of basic magnetostatics
2. Magnetization and magnetic materials
3. Atomic origins of magnetism
4. Diamagnetism
5. Paramagnetism
6. Interactions in ferromagnetic materials
7. Ferromagnetic domains
8. Antiferromagnetism
9. Ferrimagnetism
10. Anisotropy
11. Magnetic data storage
12. Magneto-optics and magneto-optic recording
13. Magnetic semiconductor
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