Electronic Structure Methods for Complex Materials

Electronic Structure Methods for Complex Materials pdf epub mobi txt 电子书 下载 2025

出版者:Oxford University Press, USA
作者:Wai-Yim Ching
出品人:
页数:360
译者:
出版时间:2012-7-22
价格:USD 117.00
装帧:Hardcover
isbn号码:9780199575800
丛书系列:
图书标签:
  • 电子结构 
  • 计算方法 
  •  
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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.

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