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

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发表于2024-12-29

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

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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

Electronic Structure Methods for Complex Materials 2024 pdf epub mobi 电子书图书描述

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.

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

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