Dresden 2017 – wissenschaftliches Programm

Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

O: Fachverband Oberflächenphysik

O 30: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond - III

Dienstag, 21. März 2017, 10:30–13:00, GER 38

10:30 O 30.1 Hauptvortrag: Including spin effects in the strong-coupling limit of DFT — •Paola Gori-Giorgi, Juri Grossi, Derk Pieter Kooi, Klaas Giesbertz, Michael Seidl, Aron Cohen, and Paula Mori-Sanchez
11:00 O 30.2 Strong correlation from the Random Phase Approximation and beyond — •Thomas Olsen and Kristian Thygesen
11:15 O 30.3 Surface and adsorption energy calculations within the random phase approximation — •Per Schmidt and Kristian Thygesen
11:30 O 30.4 Large-scale cubic-scaling RPA correlation energy calculations using a Gaussian basis — •Jan Wilhelm and Jürg Hutter
11:45 O 30.5 Semi-local exchange functionals showing ultranonlocal response: the hope to replace exact exchange — •Thilo Aschebrock and Stephan Kümmel
12:00 O 30.6 (De)stabilizing dispersion interactions via external electric charges — •Andrii Kleshchonok and Alexandre Tkatchenko
12:15 O 30.7 An optimisability proof for self-consistent constrained DFT, and its implications for constraint-based self-interaction error correctionGlenn Moynihan, Gilberto Teobaldi, and •David D. O’Regan
12:30 O 30.8 Density-based local hybrid functional for interfaces — •Pedro Borlido, Silvana Botti, and Miguel Marques
12:45 O 30.9 On the hunt for better functionals in DFT: a new quantum embedding scheme — •Uliana Mordovina, Teresa E. Reinhard, Heiko Appel, and Angel Rubio
100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2017 > Dresden