Berlin 2008 – wissenschaftliches Programm

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SYEC: Symposium Exact-exchange and hybrid functionals meet quasiparticle energy calculations

SYEC 1: Exact-exchange and hybrid functionals meet quasiparticle energy calculations I

SYEC 1.1: Hauptvortrag

Donnerstag, 28. Februar 2008, 09:30–10:00, A 151

Nonlocal exact exchange: range separation, hybridization, and local variants — •Gustavo Scuseria — Rice University, Houston, Texas, USA

This presentation will address our current efforts to develop more accurate exchange-correlation forms for density functional theory. There are two leading themes in our current work: range separation and local weights. On the first theme, we will present a three-range hybrid functional and discuss the rationale for the success of screened functionals like HSE and LC-wPBE. On the second theme, the emphasis will be on new metrics for local hybridization and local range separation.