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Electronic Structure Methods for Complex Materials

Name: Electronic Structure Methods for Complex Materials
Brand: Oxford University Press
SKU: 04473442
Price: 205.79 EUR
Availability: InStock
Author: Wai-Yim Ching
ISBN: 9780199575800

Wai-Yim Ching

Language

English

Book Hardback

Libristo code: 04473442

Publishers Oxford University Press, May 2012

Density functional theory (DFT) has blossomed in the past few decades into a powerful tool that is u... Full description

Libristo code: 04473442

499 b

205.79 €

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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.