Electronic Structure Methods for Complex Materials pdf epub mobi txt 电子书 下载 2024


Electronic Structure Methods for Complex Materials

简体网页||繁体网页
Wai-Yim Ching
Oxford University Press, USA
2012-7-22
360
USD 117.00
Hardcover
9780199575800

图书标签: 电子结构  计算方法   


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      Electronic Structure Methods for Complex Materials epub 下载 mobi 下载 pdf 下载 txt 电子书 下载 2024

      Electronic Structure Methods for Complex Materials epub 下载 mobi 下载 pdf 下载 txt 电子书 下载 2024

      Electronic Structure Methods for Complex Materials pdf epub mobi txt 电子书 下载 2024



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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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