Berlin 2018 – wissenschaftliches Programm

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

MM: Fachverband Metall- und Materialphysik

MM 33: 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 MM 33.1 Hauptvortrag: Correlating electrons via adiabatic connection approach: a general formalism, approximations, and applications — •Katarzyna Pernal
11:00 MM 33.2 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 MM 33.3 Ground-State Quantum-Electrodynamical Density-Functional Theory — •Michael Ruggenthaler
11:30 MM 33.4 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 MM 33.5 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 MM 33.6 Precise total-energy calculations at a significantly reduced cost — •Rudolf Zeller
12:15 MM 33.7 Approach to Orbital-free DFT with Englert-Schwinger model — •Jouko Lehtomäki and Olga Lopez-Acevedo
12:30 MM 33.8 The Kerker Preconditioner for FLAPW Methods with Charge Density Mixing — •Miriam Hinzen, Edoardo Di Napoli, Daniel Wortmann, and Stefan Blügel
12:45 MM 33.9 Effect of spin on the generalized Pauli constraints in Reduced Density Matrix Functional Theory — •Nicole Helbig, Iris Theophilou, and Nektarios N. Lathiotakis
100% | Mobil-Ansicht | English Version | Kontakt/Impressum/Datenschutz
DPG-Physik > DPG-Verhandlungen > 2018 > Berlin