Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods

ISBN: 0521815916

Category: Technical

Tag: Science/Engineering


Posted on 2007-09-05, updated at 2009-07-14. By anonymous.

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    Publisher:   Cambridge University Press
    Number Of Pages:   370
    Publication Date:   2006-07-24
    Sales Rank:   709691
    ISBN / ASIN:   0521815916
    EAN:   9780521815918
    Binding:   Hardcover
    Manufacturer:   Cambridge University Press
    Studio:   Cambridge University Press


    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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