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.
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'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
Book Description
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 reader's understanding.
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Most Helpful Customer Reviews
31 of 31 people found the following review helpful:
5.0 out of 5 stars
Outstanding,
By
This review is from: Electronic Structure: Basic Theory and Practical Methods (Vol 1) (Hardcover)
This book was recommended to me to help me in my research, and has turned out to be one of the best recommendations I have ever received. This is a great book; by far the best I have come across on the topic of computing the properties of condensed phase materials by quantum mechanical simulations. Here are the reasons why.1. The chapters are well laid out and one chapter flows neatly to the next. 2. The math is kept to a minimum; the author makes a point of communicating important principles and ideas in concise sentences without resorting to derivations. This is ideal for engineers like me; who by training do not know that much math as compared to physicists who specialize in the solid state. 3. Important ideas are clarified up front. Many texts will lead the reader through long and windy paths of proofs and logic before arriving at the conclusion; thereby losing their reader in the process. Not here; important points are stated clearly at the beginning and at the end of each section. 4. Compare, contrast, and context. There are many ideas, models, approximations, and theorems that have been developed in the past century related to electronic structure. Many of these are closely related to each other in their inspiration, derivation, practice, and/or applications. This book makes the connections between the different concepts. For a non-expert reading through the electronic structure literature, terms like APW, OPW, PAW, LAPW, LMTO, etc... can be quite confusing if not placed within an overriding context. This book provides that context. 5. Good use of appendices. Electronic structure is a lot like politics; most practicioners in either field did not receive formal educations in the subject, but instead got into it under the apprenticeship of other people. This is reflected by a lot of literature by those who succeeded in the field; most of it good in showing of the authors' achievements, but generally useless in preparing the next generation of practicioners. For electronic structure, this is manifested by the many books that require prior knowledge of quantum, thermo, crystallography, mat sci, etc.. In effect, these books were written by experts to be read by other experts. Not this book. Basic ideas are kept in the text; and specific proofs and derivations are kept in the appendices. The result is a text that is much easier to read than most others. 6. The book is concept driven; not application driven. Most texts in materials simulations are actually a compilation of chapters written independently by multiple authors. Each chapter might be given a general title; but the text will be bias towards the research of its authors. For example, a chapter on surface calculations might focus entirely on adsorption, or relaxation/reconstruction, or optical properties; but surely not touching all these subjects. This book does not do this; each chapter is driven by basic concepts, and one concept leads to the next. In all, this is a great textbook and a handy reference book. I highly recommend it.
4 of 4 people found the following review helpful:
5.0 out of 5 stars
Excellent book,
By
This review is from: Electronic Structure: Basic Theory and Practical Methods (Vol 1) (Hardcover)
As a graduate student attempting to learn density functional theory and its use in computer programmes, I have found this book to be an excellent addition to my library. Well structured and written.
4.0 out of 5 stars
A Gr8 Book on DFT Concepts,
By Vidur (MI, USA) - See all my reviews
This review is from: Electronic Structure: Basic Theory and Practical Methods (Vol 1) (Hardcover)
I like this book and would recommend it to any beginner into density functional theory. It explains all the modern electronic structure techniques in a rather simple language. Its much more easier and quicker than going into hundreds of papers and not knowing where to start.
The biggest issue with this book is a rather poor organisational structure to the book. That's why I've given it a 4/5 rating. There are some concepts that have been easily thrown in at the end, into the appendices.. and having to turn pages too frequently can be annoying. But the good work has been done & I'd ask Mr Martin to re-organise the content. This book has the potential to be a classic.
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Since the discovery of the election in 1896-1897, the theory of electrons in matter has ranked among the great challenges of theoretical physics. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
pseudopotential program, occ empty, fictitious kinetic energy, canonical bands, exact density functional theory, unpolarized gas, wannier functions, minimum direct gap, augmented methods, tail cancellation, projector augmented wave, first quantitative calculations, stress theorem, local orbital basis, force theorem, interacting density, ultrasoft pseudopotentials, electron localization function, variational minimum, exchange hole, plane wave calculations, ground state density, full wavefunction, condensed matter applications, atomic sphere approximation Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Monte Carlo, Saunders Company, Oxford University Press, Cambridge University Press, Kluwer Academic Publishers, University of Illinois, Academic Press, Born-Von Karmen, Computer Physics Reports, Theory of Itinerant Electron Magnetism New!
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Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Since the discovery of the election in 1896-1897, the theory of electrons in matter has ranked among the great challenges of theoretical physics. Read the first page Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
pseudopotential program, occ empty, fictitious kinetic energy, canonical bands, exact density functional theory, unpolarized gas, wannier functions, minimum direct gap, augmented methods, tail cancellation, projector augmented wave, first quantitative calculations, stress theorem, local orbital basis, force theorem, interacting density, ultrasoft pseudopotentials, electron localization function, variational minimum, exchange hole, plane wave calculations, ground state density, full wavefunction, condensed matter applications, atomic sphere approximation Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Monte Carlo, Saunders Company, Oxford University Press, Cambridge University Press, Kluwer Academic Publishers, University of Illinois, Academic Press, Born-Von Karmen, Computer Physics Reports, Theory of Itinerant Electron Magnetism New!
Books on Related Topics | Concordance | Text Stats Browse Sample Pages:
Front Cover | Table of Contents | First Pages | Index | Back Cover | Surprise Me!
Citations (learn more)
This book cites 62
books:
See all 62 books this book cites
4
books
cite this book:
- Solid State Physics: Advances in Research and Applications, Vol. 32 by Henry Ehrenreich on 17 pages
- Solid State Physics by Neil W. Ashcroft on 9 pages
- Solid State Physics: Advances in Research and Applications, Vol. 44 by Henry Ehrenreich on 8 pages
- Condensed Matter Physics by Michael P. Marder on 6 pages
- Introduction to Solid State Physics by Charles Kittel on 6 pages
See all 62 books this book cites
- Atoms, Molecules And Clusters in Electric Fields: Theoretical Approaches to the Calculation of Electric Polarizability (Computational, Numerical and Mathematical Methods in Sciences and Engineering) by George Maroulis on page 602
- Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods by Jorge Kohanoff in Front Matter
- Computer Simulations of Dislocations (Oxford Series on Materials Modelling) by Vasily Bulatov in Back Matter
- Thin Films and Heterostructures for Oxide Electronics (Multifunctional Thin Film Series) by Satishchandra B. Ogale on page 296
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