题目：On Efficiently Solving All-Electron Kohn-Sham Equation

报告人：胡光辉 教授 （澳门大学）

时间：2018年12月21日10：00-11:00

地点：致远楼103室

摘要: With the development of the hardware, the numerical study on the all-electron Kohn-Sham equation has been attracting more and more attention, which potentially would play an important role in studying a variety of physical phenomena such as high harmonic generation. In this talk, towards the efficient numerical solver for the all-electron Kohn-Sham equation, an adaptive finite element framework will be introduced, as well as several numerical challenges. In addition, a C++ library called AFEABIC will be described in detail based on our numerical method. A number of numerical exmples show the effectiveness of our method and library. Finally, further improvement will be discussed.

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