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Electronic structure methods for complex materials
Hardback
€217.50
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- Book Synopsis
- Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is used by experimentalists and theoreticians alike. This book highlights the extensive contributions that the DFT-based OLCAO method has made to progress in this field, and it demonstrates its competitiveness for performing ab initio calculations on large and complex models of practical systems. A brief historical account and introduction to the elements of the theory set the stage for discussions on semiconductors, insulators, crystalline metals and alloys, complex crystals, non-crystalline solids and liquids, microstructure containing systems and those containing impurities, defects, and surfaces, biomolecular systems, and the technique of ab initio core level spectroscopy calculation.
- About The Author
- Wai-Yim Ching is Curators' Professor of Physics at the University of Missouri, Kansas City. Paul Rulis is an Assistant Professor of Physics at the University of Missouri, Kansas City.
- Product Details
-
- ISBN
- 9780199575800
- Format
- Hardback
- Publisher
- Oxford University Press, (17 May 2012)
- Number of Pages
- 310
- Weight
- 790 grams
- Language
- English
- Dimensions
- 248 x 196 x 24.6 mm
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