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Reformulation of the Muffin-Tin Problem in Electronic Structure Calculations within the FEAST Framework
Electronic Structure FEAST Muffin-tin Density Functional Theory
2014/12/8
This thesis describes an accurate and scalable computational method designed to perform nanoelectronic structure calculations. Built around the FEAST framework, this method directly addresses the nonl...
First-principle electronic structure calculations within real-space mesh framework: Applications to atoms, molecules and nanostructures
Applied sciences All-electron calculations Electronic structure Real-space mesh techniques Carbon nanotubes
2014/11/7
This dissertation is organized as follows. Beginning with physical background discussions of many-body problems, Chapter 1 introduces the central Kohn-Sham equations of Density Functional Theory for e...
专著信息
书名
Infrared probe of the electronic structure and charge dynamics of Na0.7CoO2
语种
英文
撰写或编译
作者
N. L. Wang,P. Zheng,D. Wu,Y. C. Ma,T. Xiang,R. Y. Jin,D. Mandrus
第一作者单位
出版社
Phys. Rev. Lett. 93, 2370...
专著信息
书名
Electronic Structure of Relaxor Ferroelectrics Pb(Mg1/3Nb2/3)O3
语种
英文
撰写或编译
作者
K Yang,C L Wang,J C Li,
第一作者单位
出版社
Integrated Ferroelectircs (published in Apr 2006)
出版地
出版日期
2006年
月
日
标准书号
介质类型...
期刊信息
篇名
Stability and electronic structure of AlN nanotubes
语种
英文
撰写或编译
作者
Mingwen Zhao (赵明文),Yueyuan Xia (夏曰源) 等
第一作者单位
刊物名称
Phys. Rev
页面
B 68（2003）235415-1-4
出版日期
2003年
月
日
文章标识(ISSN)
相关项目
超低能氢离子注入碳...