Berlin 2008 –
wissenschaftliches Programm
SYEC 2: Exact-exchange and hybrid functionals meet quasiparticle energy calculations II
Donnerstag, 28. Februar 2008, 14:00–17:00, A 053
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14:00 |
SYEC 2.1 |
Range separated hybrid density functionals: the importance of middle-range Hartree-Fock exchange — •Artur F. Izmaylov, Thomas M. Henderson, Gustavo E. Scuseria, and Andreas Savin
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14:15 |
SYEC 2.2 |
Applications of the exact-exchange functional in current density functional theory — •Stefan Kurth, Stefano Pittalis, Sangeeta Sharma, Nicole Helbig, and Eberhard K.U. Gross
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14:30 |
SYEC 2.3 |
First-principles approach to Non-Collinear Magnetism: Towards Spin Dynamics — •Sangeeta Sharma, J Kay Dewhurst, Stefan Kurth, Stefano Pittalis, and E. K. U Gross
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14:45 |
SYEC 2.4 |
Fingerprints of discontinuity in the exchange-correlation energy functional in the subband electronic structure of semiconductor quantum wells — •César R. Proetto and Santiago Rigamonti
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15:00 |
SYEC 2.5 |
Exchange-energy functionals for finite two-dimensional systems — •Stefano Pittalis, Esa Rasanen, Nicole Helbig, and E.K.U. Gross
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15:15 |
SYEC 2.6 |
Wigner crystallization in exact exchange theory: calculation of the persistent current in a quantum ring — •Marc Siegmund and Oleg Pankratov
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15:30 |
SYEC 2.7 |
The relativistic optimized potential method for solids implemented within the multiple scattering KKR method — •D Ködderitzsch, H Ebert, and H Akai
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15:45 |
SYEC 2.8 |
Hybrid functional and GW calculations on defects in semiconductors: from quantitative to qualitative changes of defect levels and states compared to standard DFT methods — •Adam Gali, Peter Deák, Bálint Aradi, and Riccardo Rurali
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16:00 |
SYEC 2.9 |
Theoretical Spectroscopy of Point Defects in Semiconductors — •M. Bockstedte, Adam Gali, A. Marini, A. Rubio, and O. Pankratov
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16:15 |
SYEC 2.10 |
Understanding correlations in vanadium dioxide from first principles — •Matteo Gatti, Fabien Bruneval, Valerio Olevano, and Lucia Reining
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16:30 |
SYEC 2.11 |
Electronic correlation in 3d transition metals beyond GW: The FLEX method — •Andreas Gierlich, Arno Schindlmayr, Stefan Blügel, and Václav Drchal
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16:45 |
SYEC 2.12 |
Efficient all-electron implementation of the GW approximation within the full-potential linearised augmented-plane-wave method — •Christoph Friedrich, Arno Schindlmayr, and Stefan Blügel
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