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Dresden 2017 – wissenschaftliches Programm

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TT: Fachverband Tiefe Temperaturen

TT 18: Electronic-Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - II (joint session DS, HL, MA, MM, O, TT, organized by O)

Montag, 20. März 2017, 15:00–18:15, GER 38

15:00 TT 18.1 Hauptvortrag: Towards efficient orbital-dependent density functionals for weak and strong correlation — •Igor Ying Zhang, Patrick Rinke, John P. Perdew, and Matthias Scheffler
15:30 TT 18.2 Towards a functional for strong correlation via semiclassical model for the indirect energy and local interpolation along the adiabatic connection — •Stefan Vuckovic and Paola Gori-Giorgi
15:45 TT 18.3 Benchmark of GW approaches for the GW100 test set — •Patrick Rinke, Matthias Dauth, Fabio Caruso, and Michiel van Setten
16:00 TT 18.4 Addressing electron-hole correlation in core excitations of solids: A first-principles all-electron approach based on many-body perturbation theory — •Christian Vorwerk, Caterina Cocchi, and Claudia Draxl
16:15 TT 18.5 Non-linear-screening contributions to photoemission spectra — •Marilena Tzavala, Claudia Rödl, and Lucia Reining
16:30 TT 18.6 Dynamic LDA for electronic excitations — •Marco Vanzini, Matteo Gatti, and Lucia Reining
16:45 TT 18.7 Recent developments of the Sternheimer-GW method — •Martin Schlipf, Henry Lambert, and Feliciano Giustino
17:00 TT 18.8 Calculating electronic correlations in the CASTEP ab initio code — •Vincent Sacksteder and Evgeny Plekhanov
17:15 TT 18.9 Efficient G0W0 using localized basis sets: a benchmark for molecules — •Peter Koval, Mathias Per Ljungberg, and Daniel Sánchez Portal
17:30 TT 18.10 A dynamic exchange correlation kernel derived from recent results for the homogeneous electron gas — •Martin Panholzer, Matteo Gatti, and Lucia Reining
17:45 TT 18.11 Benchmark calculations of the electronic structure for molecules from the second-Born self-energy — •Michael Schüler and Yaroslav Pavlyukh
18:00 TT 18.12 Performance of the GW approximation at reproducing key features in exact Kohn-Sham potentials — •Jack Wetherell, Leopold Talirz, Matt Hodgson, and Rex Godby
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