| 查看: 7568 | 回复: 91 | |||||||||
| 【奖励】 本帖被评价80次，作者LukeNiu增加金币 63.4 个 | |||||||||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||||||||
[资源]
密度泛函理论 (Density Functional Theory) 的权威著作
|
|||||||||
|
密度泛函理论是一种研究多电子体系电子结构的量子力学方法。密度泛函理论在物理和化学上都有广泛的应用，特别是用来研究分子和凝聚态的性质，是凝聚态物理计算材料学和计算化学领域最常用的方法之一。 作者: David Sholl / Janice A Steckel 出版社: Wiley-Interscience 副标题: A Practical Introduction 出版年: 2009-04-13 页数: 252 定价: USD 99.95 装帧: Hardcover ISBN: 9780470373170 Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed. |
回复此楼» 本帖附件资源列表
-
欢迎监督和反馈：小木虫仅提供交流平台，不对该内容负责。
本内容由用户自主发布，如果其内容涉及到知识产权问题，其责任在于用户本人，如对版权有异议，请联系邮箱：libolin3@tal.com - 附件 1 : David_Sholl,_Janice_A_Steckel_Density_functional(b-ok.org).pdf
2018-02-15 03:22:07, 1.86 M
» 收录本帖的淘贴专辑推荐
 书籍下载网站 | 专业书籍（外文版）WM | Allen的英文原版+百科 | 物理化学材料类书籍 |
| 专业书籍之数学力学WM | 粒子宇宙生命 | Allen的物理 |
» 本帖已获得的红花（最新10朵）
道家哲学» 猜你喜欢
想问一下有没有需要文章但是没时间带学生的研究生导师。
已经有19人回复
-
颜宁:基础研究应顶天立地,立地即从需求端作为问题的出发点,立项背景就是面向真实需求
已经有3人回复
-
发现督导在听课，需要跟TA招呼示意吗？有同学看手机、课件有疏漏算大问题吗？
已经有4人回复
-
催稿后秒拒
已经有6人回复
-
前同事拿我以前未中的国自然标书申请今年的国自然，现在基金委发来调查函
已经有10人回复
-
298求调剂
已经有9人回复
-
申请省自然科学基金，研究区能否是省外区域
已经有13人回复
-
国内科研环境差导致国内科研水平差的根源
已经有3人回复
-
CSC在职申请求问
已经有7人回复
-
家乡二本高校/沿海传统私企，如何抉择？
已经有15人回复
» 本主题相关商家推荐: (我也要在这里推广)
30楼2018-03-26 15:10:56
100
