Berlin 2018 –
wissenschaftliches Programm
CPP 44: 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)
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10:30 |
CPP 44.1 |
Hauptvortrag:
Correlating electrons via adiabatic connection approach: a general formalism, approximations, and applications — •Katarzyna Pernal
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11:00 |
CPP 44.2 |
Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: case study of LiF — •Chen Li, Ryan Requist, and Eberhard. K. U. Gross
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11:15 |
CPP 44.3 |
Ground-State Quantum-Electrodynamical Density-Functional Theory — •Michael Ruggenthaler
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11:30 |
CPP 44.4 |
Design of auxiliary systems for observables: the dynamic structure factor and the electron addition and removal spectra — Marco Vanzini, Martin Panholzer, Lucia Reining, and •Matteo Gatti
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11:45 |
CPP 44.5 |
Exact exchange energy of the ferromagnetic electron gas with dipolar interactions — •Camilla Pellegrini, Tristan Mueller, Kay Dewhurst, Sangeeta Sharma, and Eberhard K. U. Gross
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12:00 |
CPP 44.6 |
Precise total-energy calculations at a significantly reduced cost — •Rudolf Zeller
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12:15 |
CPP 44.7 |
Approach to Orbital-free DFT with Englert-Schwinger model — •Jouko Lehtomäki and Olga Lopez-Acevedo
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12:30 |
CPP 44.8 |
The Kerker Preconditioner for FLAPW Methods with Charge Density Mixing — •Miriam Hinzen, Edoardo Di Napoli, Daniel Wortmann, and Stefan Blügel
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12:45 |
CPP 44.9 |
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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