Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods
| Author | : | |
| Rating | : | 4.90 (975 Votes) |
| Asin | : | 0521815916 |
| Format Type | : | paperback |
| Number of Pages | : | 372 Pages |
| Publish Date | : | 2015-12-14 |
| Language | : | English |
DESCRIPTION:
Good book. But be careful of missing pages in the book! Jeffrey Chen 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.. Andrew Copple said Happy to have a complete book.. Thanks to the efforts of Dr. Kohanoff, I have finally (after a few years) received an unblemished copy of this textbook. I eagerly await the time to read this book, but for now, I know that my previous review of 1 star is unfair to the author, and what I've read so far, seems on par or better than othe. Incomplete copy of book Kate When I received this book, it had 2 prefaces, 2 chapter 1s and 2 listed of symbols. Chapters 2 and 3 are mising
He has contributed to computational methods and applications in electronic structure, statistical mechanics and Car-Parrinello molecular dynamics simulations. . 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. About the Author Jorge Kohanoff is Reader in Applied Mathematics and Theoretical Physics at Queen's University Belfast
It also serves as a reference for researchers entering the field.. Electronic structure problems are studied in condensed matter physics and theoretical chemistry to provide important insights into the properties of matter. 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. This 2006 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. 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