Berlin 2008 –
wissenschaftliches Programm
SYEC 4: Exact-exchange and hybrid functionals meet quasiparticle energy calculations IV
Freitag, 29. Februar 2008, 10:15–12:30, A 151
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10:15 |
SYEC 4.1 |
GW Method for f-electron Systems: Applications to CeO2 and ThO2 — •Hong Jiang, Ricardo I. Gomez-Abal, Xinzheng Li, Patrick Rinke, and Matthias Scheffler
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10:30 |
SYEC 4.2 |
All-electron G0W0 study of IIb-VI semiconductors and group III nitrides — •Xinzheng Li, Hong Jiang, Ricardo I. Gomez-Abal, Claudia Ambrosch-Draxl, and Matthias Scheffler
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10:45 |
SYEC 4.3 |
Total and self-energies beyond LDA and GGA: exact-exchange, GW and MP2 united by numeric atom-centered orbitals — •Andrea Sanfilippo, Xinguo Ren, Alexandre Tkatchenko, Patrick Rinke, Volker Blum, Karsten Reuter, and Matthias Scheffler
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11:00 |
SYEC 4.4 |
Accurate description of the bonding of C6H6 at noble metal surfaces, using a local exchange-correlation correction scheme — •Erik McNellis, Karsten Reuter, and Matthias Scheffler
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11:15 |
SYEC 4.5 |
Large scale GW calculations of Na cluster on the Cu(001) surface — •Yaroslav Pavlyukh and Jamal Berakdar
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11:30 |
SYEC 4.6 |
Duality of the KS and OEP potentials and implementation of OEP in a plane wave code — •Nikitas Gidopoulos, Stewart Clark, and Keith Refson
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11:45 |
SYEC 4.7 |
Generalized density functional theory for effective potentials — •Fernando Reboredo and Paul Kent
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12:00 |
SYEC 4.8 |
The quality of Müller type functionals in reduced density matrix functional theory — •Nicole Helbig, Nektarios N. Lathiotakis, Ali Akbari, Angel Rubio, and E.K.U. Gross
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12:15 |
SYEC 4.9 |
Closing the gap to reality: non local exchange and correlations in metals — •Gernot Stollhoff
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