学术报告

On Efficiently Solving All-Electron Kohn-Sham Equation

阅读次数:881

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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