Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. This graduate textbook describes the main theoretical approaches and computational techniques, from the simplest approximations to the most sophisticated methods. It starts with a detailed description of the various theoretical approaches to calculating the electronic structure of solids and molecules, including density-functional theory and chemical methods based on Hartree-Fock theory. The basic approximations are thoroughly discussed, and an in-depth overview of recent advances and alternative approaches in DFT is given. The second part discusses the different practical methods used to solve the electronic structure problem computationally, for both DFT and Hartree-Fock approaches. Adopting a unique and open approach, this textbook is aimed at graduate students in physics and chemistry, and is intended to improve communication between these communities. It also serves as a reference for researchers entering the field.
Electronic Structure Calculations for Solids and Molecules
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Book Description
This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of electrons. The first part covers the theoretical methods, including both density-functional theory and Hartree-Fock theory and the latter part discusses the different computational methods.
About the Author
JORGE KOHANOFF is Reader in Applied Mathematics and Theoretical Physics at Queen's University Belfast. He has contributed to computational methods and applications in electronic structure, statistical mechanics and Car-Parrinello molecular dynamics simulations.
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2 of 3 people found the following review helpful:
5.0 out of 5 stars
crystal review of electronic structure theory,
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This review is from: Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods (Hardcover)
I think, for me, this one is better than R. Martin's book which is thicker and deeper. This book cover most topics in this wide field and keep materials simple and clean. In my opinion, it is a good beginning for theoretical material and chemistry student who may be scared by Martin's book.
1.0 out of 5 stars
Typographic error,
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This review is from: Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods (Hardcover)
I ordered this item on July 7, 2011. My order was sent on time. But the page numbers of book are incorrect. Table of contents and first chapter are published twice. After page 10, page 43 is coming. Namely, the pages between 10 and 43 are missing.
5.0 out of 5 stars
Good book. But be careful of missing pages in the book!,
Amazon Verified Purchase(What's this?)
This review is from: Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods (Hardcover)
This is overall a great book, with clear and precise explanations of basic knowledge of DFT. But the second-handed book I got has pages 11-42 missing. I returned the item and bought from another shop and the item still has those pages missing. Something wrong with the binding process.
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Inside This Book
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First Sentence:
The description of the physical and chemical properties of matter is a central issue that has occupied the minds of scientists since the age of the ancient Greeks. Read the first page Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Kohn-Sham Hamiltonian, Cartesian Gaussians, Monte Carlo, Plenum Press, Lecture Notes, Oxford University Press, Quantum Chem, Springer Verlag, Advanced Chemistry, American Physical Society, Approximate Molecular Orbital Theory, Cambridge Phil, Cambridge University Press, Clarendon Press, Materials Modelling, North Holland, Numerical Recipes, Oxford Series, Quantum Theory of Many-Particle Systems, Solid State Physics, The Art of Scientific Computing, Zur Theorie New!
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Front Cover | Table of Contents | First Pages | Index | Surprise Me!
The description of the physical and chemical properties of matter is a central issue that has occupied the minds of scientists since the age of the ancient Greeks. Read the first page Key Phrases - Capitalized Phrases (CAPs): (learn more)
New York, Kohn-Sham Hamiltonian, Cartesian Gaussians, Monte Carlo, Plenum Press, Lecture Notes, Oxford University Press, Quantum Chem, Springer Verlag, Advanced Chemistry, American Physical Society, Approximate Molecular Orbital Theory, Cambridge Phil, Cambridge University Press, Clarendon Press, Materials Modelling, North Holland, Numerical Recipes, Oxford Series, Quantum Theory of Many-Particle Systems, Solid State Physics, The Art of Scientific Computing, Zur Theorie New!
Books on Related Topics | Concordance | Text Stats Browse Sample Pages:
Front Cover | Table of Contents | First Pages | Index | Surprise Me!
Citations (learn more)
This book cites 22
books:
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- Quantum Mechanics (2 vol. set) by Claude Cohen-Tannoudji on page 14, page 50, and page 215
- Numerical Recipes: The Art of Scientific Computing by William H. Press on page 215, page 268, and page 322
- Solid State Physics: Advances in Research and Applications, Vol. 32 by Henry Ehrenreich on page 73, page 142, and page 215
- Introduction to Solid State Physics by Charles Kittel on page 73, page 142, and page 215
- Quantum Mechanics: v. 1 by Albert Messiah on page 14, page 50, and page 215
See all 22 books this book cites
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