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MM: Fachverband Metall- und Materialphysik

MM 64: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials VII (joint session O/TT/MM/DS/CPP)

Donnerstag, 15. März 2018, 15:00–17:45, HL 001

Organizers: Silke Biermann, Ecole Polytechnique, Palaiseau cedex, France Paul R. Kent, Oak Ridge National Laboratory, USA Matthias Scheffler, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin

(Synopsis provided with part I of this session)

	15:00	MM 64.1	Hauptvortrag: Recent developments in FCIQMC: real-time propagation and improved convergence with walker number — •Ali Alavi
	15:45	MM 64.2	The contribution has been withdrawn.
	15:45	MM 64.3	High temperature superconducting oxychlorides: a light element model for cuprates — •Matteo d’Astuto, Blair Lebert, Ikuya Yamada, and Masaki Azuma
	16:00	MM 64.4	Antiferromagnetic correlations in the metallic strongly correlated transition metal oxide LaNiO3 — •Hanjie Guo, Zhiwei Li, Li Zhao, Zhiwei Hu, Chunfu Chang, Changyang Kuo, Wolfgang Schmidt, Andrea Piovano, Tunwen Pi, Oleg Sobolev, Daniel Khomskii, Liu Hao Tjeng, and Alexander Komarek
	16:15	MM 64.5	Hubbard interactions from density-functional perturbation theory — •Iurii Timrov, Nicola Marzari, and Matteo Cococcioni
	16:30	MM 64.6	Reduced Density Matrix Theory for Coupled Fermion-Boson Systems — •Florian Buchholz, Iris Theophilou, Michael Ruggenthaler, Heiko Appel, and Angel Rubio
	16:45	MM 64.7	Critical temperatures as function of magnetic anisotropy in two-dimensional systems from first-principles calculations — •Daniele Torelli
	17:00	MM 64.8	Oxygen vacancy-induced absorption of visible light in SrNbO3 — •Marcello Turtulici, Steffen Backes, and Silke Biermann
	17:15	MM 64.9	Transient charge and energy flow in the wide-band limit — Fabio Covito, •Florian Eich, Riku Tuovinen, Michael Sentef, and Angel Rubio
	17:30	MM 64.10	From DFT to Coupled Cluster Theory - Understanding Oxygen Activation on Coin Metal Nanoparticles — •Wilke Dononelli and Thorsten Klüner