An introduction to density functional theoryNicholas Harrison
最近在学习做材料计算方面的学习，有同学推荐 Density Functional Theory A Practical Introduction 这本书...
Density+functional+theory-a+practical+introduction作者 wanghouyuan来源: 小木虫 400 8 举报帖子 +关注 DFT经典之作,与vasp配套,适合vasp初学者 下载提醒:APP中打开可直接下载,点击下载 Density+functional+theory-a+practical+introduction.pdf 返回小木虫查看更多...
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. A brief undergraduate-level introduction to DFT is presented here -- an alternative to the customary introduction,...
Density FunctionalTheoryBefore making a journey to aforeign land it is a good idea toread a travel guide. In the samespirit, researchers planning to visit thecountry of Density Functional Theory(commonly abbreviated as DFT) may wantto get familiar with the land of density func-tionals by readin...
oxy)hydroxide using operando X-ray absorption spectroscopy (XAS) and density functional theory ...
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...
当当中华商务进口图书旗舰店在线销售正版《密度泛函理论 Density Functional Theory: A Practical Introduction 英文原版 David Sholl Wiley》。最新《密度泛函理论 Density Functional Theory: A Practical Introduction 英文原版 David Sholl Wiley》简介、书评、试读、价
Friebel et al. identified the local structures and site specific overpotentials of Ni and Fe cations in Ni−Fe(oxy)hydroxide using operando X-ray absorption spectroscopy (XAS) and density functional theory calculations, respectively. 这里是直接引用了Friebel的一篇文章,讲到了采用XAS和DFT来研究Ni-Fe...
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...