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Electronic Structure Calculations for Solids and Molecules

Download or Read eBook Electronic Structure Calculations for Solids and Molecules PDF written by Jorge Kohanoff and published by Cambridge University Press. This book was released on 2006-06-29 with total page 372 pages. Available in PDF, EPUB and Kindle.
Electronic Structure Calculations for Solids and Molecules
Author :
Publisher : Cambridge University Press
Total Pages : 372
Release :
ISBN-10 : 9781139453486
ISBN-13 : 1139453483
Rating : 4/5 (86 Downloads)

Book Synopsis Electronic Structure Calculations for Solids and Molecules by : Jorge Kohanoff

Book excerpt: 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.


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