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Electronic Structure: Basic Theory and Practical Methods

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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.

Paperback

First published January 1, 2004

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5 stars
11 (55%)
4 stars
6 (30%)
3 stars
2 (10%)
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1 star
1 (5%)
Displaying 1 - 3 of 3 reviews
6 reviews
January 22, 2026
Firstly a note: I am a theoretical physicist who does DF(P)T, no other condensed matter codes or techniques are very known to me so understand this review from that standpoint:
I've had to reconsider my rating and give it 4 stars. While the book is great at giving you as much information as possible, it does so usually with little explanation in some sections, while giving a lengthy derivation in others.
This is to be expected as the second edition has 762 pages. However, I do want to stress that the references are always given, and I strongly suggest the reader to look up these publications and read them themselves, especially in chapter 1-3 where the fundamentals are explained. Alongside the book it will give a strong foundation upon which a person can understand DF(P)T.

Lastly, it's makes (very) good reference material, if one want to look something up quickly to refresh memory or get a basic grasp on some concepts, this is a very good book for it.

Displaying 1 - 3 of 3 reviews