A framework for adaptive finite element solution of density functional theory
主 题: A framework for adaptive finite element solution of density functional theory
报告人: 胡光辉 ()
时 间: 2016-08-08 09:00 - 10:00
地 点: 理科一号楼 1569
Density functional theory (DFT) has been playing an important role in a variety of modern sciences such as functional materials design, new energy development, medical imaging. In this talk, we focus on a classical nonlinear phenomenon in the quantum optics, i.e., high order harmonic generation, and the Kohn--Sham model to introduce the background of density functional theory, and challenges on study from both theoretical and numerical aspects. Then towards resolving the efficiency issue in the simulations, a framework of using adaptive finite element method to solve Kohn--Sham and time--dependent Kohn--Sham systems will be introduced in detail. The effectiveness of the framework is shown by several numerical experiments.