Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods - Jorge Kohanoff
- Title: Electronic Structure Calculations for Solids and Molecules: Theory and Computational Methods
- Author: Jorge Kohanoff
- Pages: 370 pages
- Publisher: Cambridge University Press (July 24, 2006)
- Language: English
- ISBN-10: 0521815916
- ISBN-13: 978-0521815918
Book Description
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.
About the Author
JORGE KOHANOFF is Reader in Applied Mathematics and Theoretical Physics at Queen’s University Belfast. He has contributed to computational methods and applications in electronic structure, statistical mechanics and Car-Parrinello molecular dynamics simulations.
Download (14.7Mb, Type: PDF)
Rapidshare.com
Password: physicsbooks.info
Related posts
Did you enjoy this post? Why not leave a comment below and continue the conversation, or subscribe to my feed and get articles like this delivered automatically to your feed reader.
thank’s