Berlin 2012 –
scientific programme
HL 98: Electronic Structure Theory
Friday, March 30, 2012, 09:30–12:30, EW 202
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09:30 |
HL 98.1 |
Defect levels hiden by the Kohn-Sham band gap — •Bockstedte Michel
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09:45 |
HL 98.2 |
Hybrid functionals in WIEN2k: implementation and applications — •Fabien Tran, David Koller, Ferenc Karsai, Peter Blaha, and Antia S. Botana
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10:00 |
HL 98.3 |
Implementation of NMR into the LAPW method — •Robert Laskowski and Peter Blaha
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10:15 |
HL 98.4 |
From long- to short-range correlations in the many-body perturbation theory — •Andris Gulans, Torbjörn Björkman, Natalia Berseneva, Arkady Krasheninnikov, and Risto Nieminen
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10:30 |
HL 98.5 |
Electronic and optical properties of cadmium fluoride: the role of many-body effects — •Giancarlo Cappellini, Juergen Furthmueller, Friedhelm Bechstedt, and Emiliano Cadelano
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11:00 |
HL 98.6 |
Derivation of effective atomic potentials as new type of pseudopotentials — •Jairo Ricardo Cardenas, Roby Cherian, and Gabriel Bester
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11:15 |
HL 98.7 |
A comparison of density functionals for the charge transfer level of the N defect in ZnO — •Sung Sakong, Peter Kratzer, and Johann Gutjahr
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11:30 |
HL 98.8 |
First-principles simulations of catalytic effects of the gold nanoparticle on the GaAs nanowire growth — •Yaojun Du, Peter Kratzer, Sung Sakong, and Volker Pankoke
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11:45 |
HL 98.9 |
Tight binding in cylindrical coordinates for the electronic states of Si/Ge rolled-up nanotubes — •Giovanni Pizzi, Michele Virgilio, Giuseppe Grosso, Suwit Kiravittaya, and Oliver G. Schmidt
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12:00 |
HL 98.10 |
Confinement effects on the vibrational properties of colloidal quantum dots — •Peng Han and Gabriel Bester
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12:15 |
HL 98.11 |
Extracting an effective band structure from supercell calculations on alloys and impurities: Evolution of the impurity band with clustering in GaN:P — •Voicu Popescu and Alex Zunger
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