The DOI matches its Crossref record.
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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“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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QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D., Chiarotti, G., Cococcioni, M., Dabo, I., et al. (2009) · Journal of Physics Condensed Matter · doi:10.1088/0953-8984/21/39/395502 · Cited by 29,793
Togo, A., Oba, F., & Tanaka, I. (2008) · Physical Review B · doi:10.1103/physrevb.78.134106 · Cited by 5,453
Maximally localized Wannier functions: Theory and applications
Marzari, N., Mostofi, A. A., Yates, J. R., Souza, I., & Vanderbilt, D. (2012) · Reviews of Modern Physics · doi:10.1103/revmodphys.84.1419 · Cited by 3,283
Şahin, H., Cahangirov, S., Topsakal, M., Bekaroglu, E., Aktürk, E., Senger, R. T., & Çiraci, S. (2009) · Physical Review B · doi:10.1103/physrevb.80.155453 · Cited by 2,209
The high-throughput highway to computational materials design
Curtarolo, S., Hart, G. L. W., Nardelli, M. B., Mingo, N., Sanvito, S., & Levy, O. (2013) · Nature Materials · doi:10.1038/nmat3568 · Cited by 2,053
Metadata
- 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 › Materials Science › Metals and Alloys › 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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