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- 密度泛函理论
密度泛函理论
(美)David S. Sholl,(美)Janice A. Steckel著, 李健,周勇译How much do you like this book?
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本书的内容主要包括:密度泛函理论(Density functional theory,DFT)的基本概念,以及如何使用DFT方法对工程实际问题进行建模模拟和计算。内容包括:何谓密度泛函理论(DFT)、对于简单固体的DFT计算、DFT计算中的基本要素、固体表面的DFT计算、DFT计算振动频率、使用过渡态理论计算化学过程的速率、基于从头算动力学的平衡相图、电子结构和磁性、从头算分子动力学、在"标准"计算之外的精度和方法。
Year:
2014
Publisher:
国防工业出版社
Language:
chinese
Pages:
250
ISBN 10:
7118097373
ISBN 13:
9787118097375
File:
PDF, 29.68 MB
Your tags:
IPFS:
CID , CID Blake2b
chinese, 2014
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