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OverviewDensity 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 fordiscussions 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 spectroscopycalculation. Full Product DetailsAuthor: Wai-Yim Ching (Department of Physics, University of Missouri, Kansas City) , Paul Rulis (Department of Physics, University of Missouri, Kansas City)Publisher: Oxford University Press, USA Imprint: Oxford University Press, USA ISBN: 9786613889775ISBN 10: 6613889776 Pages: 325 Publication Date: 17 May 2012 Audience: General/trade , General Format: Electronic book text Publisher's Status: Active Availability: In stock  We have confirmation that this item is in stock with the supplier. It will be ordered in for you and dispatched immediately. Table of ContentsReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
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