Berlin 2015 – wissenschaftliches Programm
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TT: Fachverband Tiefe Temperaturen
TT 79: Frontiers of Electronic Structure Theory: Optical Excitation (organized by O)
TT 79.11: Vortrag
Mittwoch, 18. März 2015, 17:45–18:00, MA 004
Variants of Second Order Screened Exchange for spin polarized and non-polarized Uniform Electron Gas — •Felix Hummel and Georg Kresse — University of Vienna, Austria
The commonly used Random Phase Approximation (RPA) only contains exchange processes of first order. The Second Order Screened Exchange (SOSEX) correction includes one exchange process beyond first order, which is considered the leading order correction to the RPA, and it has proven to be very accurate for the Uniform Electron Gas (UEG) as well as for solids.
The memory requirement of SOSEX is however of O(N4). We present an approach with a memory requirement of O(N2) and its differences to other approaches with comparable complexity, such as AC-SOSEX, for the spin polarized and non-polarized UEG.