Electronic Structure: Basic Theory and Practical Methods
Abstract
The study of the electronic structure of materials is at a momentous stage, with the emergence of computational methods and theoretical approaches. Many properties of materials can now be determined directly from the fundamental equations for the electrons, providing insights into critical problems in physics, chemistry, and materials science. This book provides a unified exposition of the basic theory and methods of electronic structure, together with instructive examples of practical computational methods and real-world applications. Appropriate for both graduate students and practising scientists, this book describes the approach most widely used today, density functional theory, with emphasis upon understanding the ideas, practical methods and limitations. Many references are provided to original papers, pertinent reviews, and widely available books. Included in each chapter is a short list of the most relevant references and a set of exercises that reveal salient points and challenge the reader.
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Two-dimensional tensor-network methods such as PEPS and MERA in principle work for arbitrarily big systems but are biased towards slightly entangled states.
“whereas 2D tensor-network methods (PEPS, MERA) in principle work for arbitrarily big systems (bosonic, and even fermionic [83] or frustrated [84]) but are biased towards slightly entangled states.”
From Can one trust quantum simulators? (2012) · cites this paper as [84]
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- Authors
- Martin, R. M.
- Affiliations
- University of Illinois Urbana-Champaign (US)
- Corresponding author
- Martin, Richard M.
- ORCID
- Martin, Richard M.
- Venue
- Cambridge University Press eBooks
- Publisher
- Cambridge University Press
- Published
- 2004-04-08
- OpenAlex
- W4238885544
- Cited by
- 1,752
- References
- 0
- Citations by year
- 2026: 59 · 2025: 66 · 2024: 53 · 2023: 69 · 2022: 80 · 2021: 83 · 2020: 102 · 2019: 98 · 2018: 125 · 2017: 71 · 2016: 123 · 2015: 86 · 2014: 91 · 2013: 92 · 2012: 93
- FWCI
- 15.52
- Type
- book
- Language
- en
- Open access
- closed
- Locations
- Cambridge University Press eBooks (publishedVersion)
- Topics
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Physical Sciences › Physics and Astronomy › Condensed Matter Physics › Physics of Superconductivity and Magnetism
- Physical Sciences › Engineering › Mechanical Engineering › Thermodynamic and Structural Properties of Metals and Alloys
- Keywords
- electronic structure, density functional theory, computational methods, electronic structure theory, material properties
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