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Electronic Structure Methods for Complex Materials: The Orthogonalized Linear Combination of Atomic Orbitals

Electronic Structure Methods for Complex Materials: The Orthogonalized Linear Combination of Atomic Orbitals

          
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About the Book

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.


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Product Details
  • ISBN-13: 9780199575800
  • Publisher: Oxford University Press, USA
  • Publisher Imprint: Oxford University Press, USA
  • Depth: 25
  • Language: English
  • Returnable: Y
  • Spine Width: 23 mm
  • Weight: 892 gr
  • ISBN-10: 0199575800
  • Publisher Date: 22 Jul 2012
  • Binding: Hardback
  • Height: 193 mm
  • No of Pages: 360
  • Series Title: English
  • Sub Title: The Orthogonalized Linear Combination of Atomic Orbitals
  • Width: 249 mm


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Electronic Structure Methods for Complex Materials: The Orthogonalized Linear Combination of Atomic Orbitals
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