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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.
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Previews available in: English
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1
Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods
2010, Cambridge University Press
in English
0511755619 9780511755613
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2
Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods
July 24, 2006, Cambridge University Press
Hardcover
in English
0521815916 9780521815918
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3
Electronic Structure Calculations for Solids and Molecules
2006, Cambridge University Press
E-book
in English
0511189915 9780511189913
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Book Details
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."
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Feedback?July 22, 2019 | Edited by MARC Bot | remove fake subjects |
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