Berlin 2018 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 21: Focus Session: Frontiers of Electronic-Structure Theory: Correlated Electron Materials IV (joint session O/MM/DS/TT/CPP)

Mittwoch, 14. März 2018, 10:30–13:00, 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)

10:30 DS 21.1 Hauptvortrag: Correlating electrons via adiabatic connection approach: a general formalism, approximations, and applications — •Katarzyna Pernal
11:00 DS 21.2 Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: case study of LiF — •Chen Li, Ryan Requist, and Eberhard. K. U. Gross
11:15 DS 21.3 Ground-State Quantum-Electrodynamical Density-Functional Theory — •Michael Ruggenthaler
11:30 DS 21.4 Design of auxiliary systems for observables: the dynamic structure factor and the electron addition and removal spectraMarco Vanzini, Martin Panholzer, Lucia Reining, and •Matteo Gatti
11:45 DS 21.5 Exact exchange energy of the ferromagnetic electron gas with dipolar interactions — •Camilla Pellegrini, Tristan Mueller, Kay Dewhurst, Sangeeta Sharma, and Eberhard K. U. Gross
12:00 DS 21.6 Precise total-energy calculations at a significantly reduced cost — •Rudolf Zeller
12:15 DS 21.7 Approach to Orbital-free DFT with Englert-Schwinger model — •Jouko Lehtomäki and Olga Lopez-Acevedo
12:30 DS 21.8 The Kerker Preconditioner for FLAPW Methods with Charge Density Mixing — •Miriam Hinzen, Edoardo Di Napoli, Daniel Wortmann, and Stefan Blügel
12:45 DS 21.9 Effect of spin on the generalized Pauli constraints in Reduced Density Matrix Functional Theory — •Nicole Helbig, Iris Theophilou, and Nektarios N. Lathiotakis
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