Electronic Structure Methods for Complex Materials 在線電子書 圖書標籤: 電子結構 計算方法
發表於2025-01-16
Electronic Structure Methods for Complex Materials 在線電子書 pdf 下載 txt下載 epub 下載 mobi 下載 2025
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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Electronic Structure Methods for Complex Materials 在線電子書 pdf 下載 txt下載 epub 下載 mobi 下載 2025