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Multiple scattering theory approach to ab initio electronic structure calculations

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报告题目   Multiple scattering theory approach to ab initio electronic structure calculations
报告人   Prof. Yang Wang (汪洋)
报告人单位   Pittsburgh Supercomputing Center, Carnegie Mellon University, USA
报告时间   2010-07-19
报告地点   合肥微尺度物质科学国家实验室9004会议室
主办单位   合肥微尺度物质科学国家实验室
报告介绍
Multiple scattering theory method is an unique approach to ab initio electronic structure calculations within the framework of density functional theory (DFT) with local density approximation (LDA). Its convenience for calculating the Green function makes it extremely useful for the study of defects, random alloys, and electronic transport properties. In the presentation, I will give an overview of this method, and discuss its present status and future development.

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