Berlin 2012 –
wissenschaftliches Programm
O 63: Focussed session: Frontiers of electronic structure theory: Strong correlations from first principles IV (jointly with TT)
Donnerstag, 29. März 2012, 10:30–13:15, HE 101
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10:30 |
O 63.1 |
Topical Talk:
Random phase approximation and GW for correlated systems — •Patrick Rinke
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11:00 |
O 63.2 |
Renormalized second-oder perturbation theory for the electron correlation energy: concepts and benchmarks — •Xinguo Ren, Patrick Rinke, Gustavo E. Scuseria und Matthias Scheffler
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11:15 |
O 63.3 |
Energetics of LDA+DMFT(CTQMC) in a fully charge self-consistent pseudopotential formulation — •Daniel Grieger, Christoph Piefke, Oleg E. Peil, and Frank Lechermann
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11:30 |
O 63.4 |
Unraveling the α-γ phase transition in Ce from first principles — •Marco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio, and Matthias Scheffler
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11:45 |
O 63.5 |
Electron correlation effects in americium metal under pressure — •Alexander Shick, Jindrich Kolorenc, and Roberto Caciuffo
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12:00 |
O 63.6 |
DFT and beyond-DFT derived tight-binding parameters for RMnO3 using the VASP2WANNIER90 interface — •Sowmya Sathyanarayana Murthy, Roman Kovacik, Martijn Marsman, Cesare Ederer, Georg Kresse, and Cesare Franchini
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12:15 |
O 63.7 |
A periodic implementation of hybrid functionals for numeric atom-centered orbitals — Sergey Levchenko, Rainer Johanni, Xinguo Ren, Jürgen Wieferink, Patrick Rinke, •Volker Blum und Matthias Scheffler
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12:30 |
O 63.8 |
Precise all-electron response functions from a combined spectral sum and Sternheimer approach: application to EXX-OEP — •Markus Betzinger, Christoph Friedrich, and Stefan Blügel
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12:45 |
O 63.9 |
Accurate electronic structure calculation on transition metal defects in SiC by HSE06+U functional — •Viktor Ivády and Ádám Gali
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13:00 |
O 63.10 |
Origin of magnetism and qausiparticle properties of Cr-doped rutile and anatase TiO2 — •Fabiana Da Pieve, Sergio Di Matteo, Tonatiuh Rangel, Matteo Giantomassi, Gian-Marco Rignanese, and Xavier Gonze
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