|Jianfeng Lu, Department of Mathematics, Duke University|
|Title: Green’s function in electronic structure calculations|
|Abstract: The Green’s function offers a useful description to the electronic structure models, alternative to using eigenfunctions of the Hamiltonian operator. In this talk, we will demonstrate the usefulness of the Green’s function perspective by two recent results: A mathematical analysis of the divide-and-conquer method and a new Green’s function embedding approach PEXSI-\Sigma.
(based on joint work with Jingrun Chen, Xiantao Li, and Lin Lin)