Electronic Structure Calculations for Solids and Molecules

Electronic Structure Calculations for Solids and Molecules
Author: Jorge Kohanoff
Publisher: Cambridge University Press
Total Pages: 339
Release: 2006-06-29
Genre: Science
ISBN: 1139453483

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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 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. 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.


Electronic Structure Calculations for Solids and Molecules
Language: en
Pages: 339
Authors: Jorge Kohanoff
Categories: Science
Type: BOOK - Published: 2006-06-29 - Publisher: Cambridge University Press

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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. Thi
Electronic structure calculations for solids and molecules
Language: en
Pages: 371
Authors: Jorge Kohanoff
Categories:
Type: BOOK - Published: 2006 - Publisher:

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Electronic Structure Calculations for Solids and Molecules
Language: en
Pages: 372
Authors: Jorge Jose ́ Kohanoff
Categories: Science
Type: BOOK - Published: 2014-05-14 - Publisher:

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This textbook for graduate students in physics and chemistry describes the theoretical approaches and computational techniques for studying the behavior of elec
Methods of Electronic-Structure Calculations
Language: en
Pages: 0
Authors: Michael Springborg
Categories: Science
Type: BOOK - Published: 2000-07-26 - Publisher: Wiley

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Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on t
Methods of Electronic-Structure Calculations
Language: en
Pages: 0
Authors: Michael Springborg
Categories: Science
Type: BOOK - Published: 2000-07-26 - Publisher: Wiley

GET EBOOK

Electronic-structure calculations of the properties of specific materials have become increasingly important over the last 30 years. Although several books on t