ABSTRACT

: In this presentation, we will talk about finite element approximations in firstprinciples electronic structure calculations. We will report several numerical experiments in ground state energy calculations of typical molecular systems, which show that the finite element approach is efficient. This presentation is based on some joint works with Huajie Chen, Xiaoying Dai, Xingyu Gao, Xingao Gong, Lianhua He, Linhua Shen, Zhang Yang, and Dier Zhang.