Universität Augsburg
|
Professor Huajie Chen
Beijing Normal University
spricht am
Donnerstag, 12. Dezember 2019
um
17:15 Uhr
im
TUM, Boltzmann-3, Garching, Raum 03.08.011, Etage 3
über das Thema:
Abstract: |
The multiple scattering theory (MST), also called Korringa-Kohn-Rostoker (KKR) method, is widely used in electronic structure calculations of solid materials. In the MST method, a perfect separation between the atomic potentials and configuration geometries can be achieved. This can be exploited in the simulations to reduce the computational costs for many large-scale systems, including defected and disordered systems. This work studies the MST method by a rigorous numerical analysis and derives a spectral convergence rate for the numerical approximations, which justifies the reliability and efficiency of the MST method. |
Hierzu ergeht herzliche Einladung. |